| 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 | 32.9 | Very low | 42.7 | Very low | 236 Ų | 236 | 169.8 Ų | 169.8 | 100% | 1.163 | 79% | 0.786 | S | S | * | * | 0 | 126.2 | 0 | -73.6 | 179.9 | 154.9 | 0 | 0 | 106.7 | |||||
| 2 | H | 30.1 | Very low | 43.1 | Very low | 146 Ų | 146 | 167.6 Ų | 167.6 | 68% | 0.676 | 78% | 0.783 | S | S | * | * | cis | -162.9 | 123.6 | 13.9 | -132.4 | -90.9 | 0 | 0 | 0 | 104.7 | ||||
| 3 | R | 45.3 | Very low | 43.3 | Very low | 240 Ų | 240 | 168.8 Ų | 168.8 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | 57.1 | 38.9 | 77.7 | -75.3 | -149.7 | -173.6 | -166.8 | 5.1 | 117.3 | |||||
| 4 | R | 47.4 | Very low | 43.6 | Very low | 232 Ų | 232 | 162.6 Ų | 162.6 | 88% | 0.875 | 76% | 0.763 | S | S | * | * | trans | -158.4 | 101.4 | 156 | -65 | -168.1 | 178 | 165.2 | -1.5 | 107.2 | ||||
| 5 | S | 43.2 | Very low | 44 | Very low | 96 Ų | 96 | 158.3 Ų | 158.3 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | -174.2 | 138.9 | 59.4 | 167.8 | 0 | 0 | 0 | 0 | 107.2 | I7 | S5-I7 PolarHBondContact O-N 3.12Å; S5-I7 VanDerWaalsContact O-N 3.12Å | |||
| 6 | P | 44.6 | Very low | 44.3 | Very low | 100 Ų | 100 | 154.9 Ų | 154.9 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | trans | -73.2 | 105.4 | 163 | 30.8 | -24.8 | 0 | 0 | 0 | 106.4 | F8 | P6-F8 PolarHBondContact O-N 2.99Š| ||
| 7 | I | 45 | Very low | 44.5 | Very low | 159 Ų | 159 | 155.4 Ų | 155.4 | 82% | 0.815 | 75% | 0.753 | S | S | * | * | trans | -52.3 | 113.6 | 159.1 | -66.6 | 169.4 | 0 | 0 | 0 | 105 | S5 | S5-I7 PolarHBondContact O-N 3.12Å; S5-I7 VanDerWaalsContact O-N 3.12Å | ||
| 8 | F | 43.8 | Very low | 44.9 | Very low | 192 Ų | 192 | 154.1 Ų | 154.1 | 84% | 0.842 | 76% | 0.762 | S | S | * | * | trans | -12.8 | 126.8 | -178 | -77.2 | -95.5 | 0 | 0 | 0 | 115.8 | P6 N10 | P6-F8 PolarHBondContact O-N 2.99Å; F8-N10 VanDerWaalsContact C-N 3.27Å; F8-N10 PolarHBondContact O-N 3.42Å | ||
| 9 | F | 43.7 | Very low | 45 | Very low | 163 Ų | 163 | 152.1 Ų | 152.1 | 72% | 0.715 | 75% | 0.751 | S | S | * | * | trans | -50.5 | 89.3 | 163.1 | -77.4 | -93.6 | 0 | 0 | 0 | 110.2 | Y11 | F9-Y11 HydrophobicContact CB-CE2 4.06Å; F9-Y11 PolarHBondContact O-N 3.35Å | ||
| 10 | N | 45.1 | Very low | 45.5 | Very low | 96 Ų | 96 | 152.3 Ų | 152.3 | 51% | 0.513 | 76% | 0.761 | S | S | . | * | trans | -88.7 | 103.1 | 170.5 | -170.2 | -1.2 | 0 | 0 | 0 | 107.7 | F8 L12 Y13 | F8-N10 VanDerWaalsContact C-N 3.27Å; F8-N10 PolarHBondContact O-N 3.42Å; N10-L12 PolarHBondContact O-N 3.14Å; N10-L12 VanDerWaalsContact O-N 3.08Å; N10-L12 PolarHBondContact OD1-N 3.21Å; N10-Y13 PolarHBondContact O-N 3.39Å | ||
| 11 | Y | 48.7 | Very low | 45.8 | Very low | 208 Ų | 208 | 150.7 Ų | 150.7 | 82% | 0.816 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 1 | -178.9 | -66.5 | -84.2 | 0 | 0 | 0 | 114 | F9 | F9-Y11 HydrophobicContact CB-CE2 4.06Å; F9-Y11 PolarHBondContact O-N 3.35Å |
| 12 | L | 47.9 | Very low | 46.7 | Very low | 143 Ų | 143 | 147.1 Ų | 147.1 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.7 | 15.4 | -177.3 | -68.5 | 166 | 0 | 0 | 0 | 113.5 | N10 S14 | N10-L12 PolarHBondContact O-N 3.14Å; N10-L12 VanDerWaalsContact O-N 3.08Å; N10-L12 PolarHBondContact OD1-N 3.21Å; L12-S14 PolarHBondContact O-N 3.21Å; L12-S14 VanDerWaalsContact O-N 3.1Å |
| 13 | Y | 45.7 | Very low | 47.8 | Very low | 184 Ų | 184 | 146.9 Ų | 146.9 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | trans | -72.6 | 104.2 | 177.3 | -175 | -106.7 | 0 | 0 | 0 | 111.1 | N10 P15 | N10-Y13 PolarHBondContact O-N 3.39Å; Y13-P15 HydrophobicContact CD1-CG 4.25Å; Y13-P15 HydrophobicContact CE1-CB 4.21Å; Y13-P15 HydrophobicContact CE1-CG 3.87Å | ||
| 14 | S | 46.7 | Very low | 47.8 | Very low | 81 Ų | 81 | 141.2 Ų | 141.2 | 57% | 0.566 | 73% | 0.73 | S | S | * | * | trans | -101.8 | 118.3 | 167.7 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | L12 S16 | L12-S14 PolarHBondContact O-N 3.21Å; L12-S14 VanDerWaalsContact O-N 3.1Å; S14-S16 PolarHBondContact O-N 3.49Å | ||
| 15 | P | 49.4 | Very low | 47.9 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 64% | 0.643 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -4.7 | -178.4 | -10.7 | 26 | 0 | 0 | 0 | 114.1 | Y13 | Y13-P15 HydrophobicContact CD1-CG 4.25Å; Y13-P15 HydrophobicContact CE1-CB 4.21Å; Y13-P15 HydrophobicContact CE1-CG 3.87Å |
| 16 | S | 49.1 | Very low | 48.2 | Very low | 103 Ų | 103 | 137 Ų | 137 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 0.4 | -158.7 | -40.4 | 0 | 0 | 0 | 0 | 116.3 | S14 | S14-S16 PolarHBondContact O-N 3.49Š|
| 17 | E | 48.6 | Very low | 48.7 | Very low | 164 Ų | 164 | 137.4 Ų | 137.4 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | trans | -126.1 | 119.5 | 177.4 | -78.5 | -172.9 | 168.5 | 0 | 0 | 111.1 | E19 | E17-E19 PolarHBondContact O-N 2.76Š| ||
| 18 | S | 50.5 | Low | 49.3 | Very low | 131 Ų | 131 | 137 Ų | 137 | 92% | 0.916 | 73% | 0.732 | S | S | * | * | trans | -74.7 | 39.2 | -173.2 | 50.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 19 | E | 47.3 | Very low | 50 | Low | 117 Ų | 117 | 132.2 Ų | 132.2 | 55% | 0.547 | 72% | 0.72 | S | S | . | * | trans | -117.2 | 113.9 | 170.1 | -76.7 | -171.1 | 156.2 | 0 | 0 | 110.7 | E17 I21 K23 | E17-E19 PolarHBondContact O-N 2.76Å; E19-I21 PolarHBondContact O-N 3.08Å; E19-K23 IonicContact OE2-NZ 2.89Å; E19-K23 PolarHBondContact OE2-NZ 3.1Å | ||
| 20 | V | 54.3 | Low | 50.8 | Low | 156 Ų | 156 | 130 Ų | 130 | 95% | 0.945 | 73% | 0.725 | S | S | * | * | trans | -75.4 | 53.4 | 171.7 | -167.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 21 | I | 52.2 | Low | 51.9 | Low | 119 Ų | 119 | 132.7 Ų | 132.7 | 61% | 0.61 | 74% | 0.739 | S | S | * | * | trans | -134.3 | 112.7 | 175.6 | -52.9 | 178.7 | 0 | 0 | 0 | 107.6 | E19 K23 | E19-I21 PolarHBondContact O-N 3.08Å; I21-K23 PolarHBondContact O-N 3.48Å | ||
| 22 | L | 51.6 | Low | 52.7 | Low | 161 Ų | 161 | 128.8 Ų | 128.8 | 84% | 0.843 | 74% | 0.737 | S | S | * | * | trans | -61.5 | 99.8 | 168.7 | -71.7 | 165.9 | 0 | 0 | 0 | 108.1 | P24 | L22-P24 WeakPolarHBondContact O-CD 3.42Š| ||
| 23 | K | 52.9 | Low | 53.5 | Low | 140 Ų | 140 | 128.3 Ų | 128.3 | 61% | 0.609 | 73% | 0.729 | S | S | * | * | trans | -76.7 | 120.2 | 168.2 | -76.7 | 173.8 | -176.6 | 151.3 | 0 | 107.7 | E19 I21 C25 | E19-K23 IonicContact OE2-NZ 2.89Å; E19-K23 PolarHBondContact OE2-NZ 3.1Å; I21-K23 PolarHBondContact O-N 3.48Å; K23-C25 PolarHBondContact O-N 2.96Å | ||
| 24 | P | 47 | Very low | 54.6 | Low | 122 Ų | 122 | 128.7 Ų | 128.7 | 79% | 0.792 | 73% | 0.729 | S | S | * | * | trans | -67.5 | 99.6 | 174.7 | 25.3 | -30.3 | 0 | 0 | 0 | 109 | L22 V26 | L22-P24 WeakPolarHBondContact O-CD 3.42Å; P24-V26 PolarHBondContact O-N 3.28Å | ||
| 25 | C | 48.7 | Very low | 55.7 | Low | 116 Ų | 116 | 129.6 Ų | 129.6 | 78% | 0.784 | 73% | 0.727 | S | S | * | * | trans | -80.1 | 112 | 166.7 | -104.1 | 0 | 0 | 0 | 0 | 108.2 | K23 | K23-C25 PolarHBondContact O-N 2.96Š| ||
| 26 | V | 50.3 | Low | 56.5 | Low | 124 Ų | 124 | 131.4 Ų | 131.4 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | trans | -94.6 | 92.9 | 169.5 | -161.1 | 0 | 0 | 0 | 0 | 106.6 | P24 I28 | P24-V26 PolarHBondContact O-N 3.28Å; V26-I28 HydrophobicContact CG1-CG1 4.37Å; V26-I28 PolarHBondContact O-N 2.85Å | ||
| 27 | S | 55.3 | Low | 57.2 | Low | 108 Ų | 108 | 133.3 Ų | 133.3 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | trans | -72.9 | 108.6 | 162.7 | 61.4 | 0 | 0 | 0 | 0 | 106.5 | P29 | S27-P29 WeakPolarHBondContact O-CD 3.32Š| ||
| 28 | I | 55.9 | Low | 58 | Low | 149 Ų | 149 | 126.6 Ų | 126.6 | 76% | 0.764 | 69% | 0.691 | S | S | * | * | trans | -76.4 | 109.5 | 169.6 | -57.8 | 173.2 | 0 | 0 | 0 | 105.5 | V26 S30 | V26-I28 HydrophobicContact CG1-CG1 4.37Å; V26-I28 PolarHBondContact O-N 2.85Å; I28-S30 PolarHBondContact O-N 3.46Å | ||
| 29 | P | 58.5 | Low | 58.7 | Low | 92 Ų | 92 | 126.4 Ų | 126.4 | 60% | 0.597 | 68% | 0.676 | S | S | * | * | trans | -61.9 | 124.7 | 173.8 | 26.6 | -32.1 | 0 | 0 | 0 | 108 | S27 L31 | S27-P29 WeakPolarHBondContact O-CD 3.32Å; P29-L31 HydrophobicContact CB-CD1 4.35Å; P29-L31 HydrophobicContact CB-CG 4.25Å; P29-L31 HydrophobicContact CG-CD1 4.46Å; P29-L31 PolarHBondContact O-N 2.91Å | ||
| 30 | S | 60.3 | Low | 59.6 | Low | 117 Ų | 117 | 123.9 Ų | 123.9 | 82% | 0.818 | 66% | 0.664 | S | S | * | * | trans | -75.5 | 66.6 | 175.2 | 177.8 | 0 | 0 | 0 | 0 | 109.9 | I28 | I28-S30 PolarHBondContact O-N 3.46Š| ||
| 31 | L | 69.7 | Low | 60 | Low | 152 Ų | 152 | 117.8 Ų | 117.8 | 80% | 0.796 | 63% | 0.627 | S | S | * | * | trans | -85.9 | 112.4 | 170.8 | -67.9 | 169.9 | 0 | 0 | 0 | 108.1 | P29 | P29-L31 HydrophobicContact CB-CD1 4.35Å; P29-L31 HydrophobicContact CB-CG 4.25Å; P29-L31 HydrophobicContact CG-CD1 4.46Å; P29-L31 PolarHBondContact O-N 2.91Å | ||
| 32 | T | 64.1 | Low | 60.5 | Low | 127 Ų | 127 | 117 Ų | 117 | 78% | 0.779 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 121.8 | 167.7 | 46.4 | 0 | 0 | 0 | 0 | 108.1 | W34 | T32-W34 PolarHBondContact O-N 3.15Š|
| 33 | K | 64.9 | Low | 60.8 | Low | 133 Ų | 133 | 111.1 Ų | 111.1 | 58% | 0.578 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 132.7 | 171.1 | -165.2 | 171 | -175.6 | -167.1 | 0 | 107.4 | T38 | K33-T38 HydrophobicContact CD-CG2 3.35Å; K33-T38 HydrophobicContact CG-CG2 3.94Å |
| 34 | W | 69.9 | Low | 61.2 | Low | 191 Ų | 191 | 108.1 Ų | 108.1 | 72% | 0.723 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 129.5 | 178.7 | -135.9 | 15.3 | 0 | 0 | 0 | 109.5 | T32 F36 F37 | T32-W34 PolarHBondContact O-N 3.15Å; W34-F36 PolarHBondContact O-N 3.4Å; W34-F36 VanDerWaalsContact O-N 3.08Å; W34-F37 HydrophobicContact CB-CD2 4.09Å; W34-F37 HydrophobicContact CB-CE2 4.49Å; W34-F37 HydrophobicContact CE3-CE2 4.19Å; W34-F37 PolarHBondContact O-N 3.49Å |
| 35 | D | 68.4 | Low | 62 | Low | 100 Ų | 100 | 103 Ų | 103 | 54% | 0.535 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -57.9 | -29 | -173 | -61.8 | -31.7 | 0 | 0 | 0 | 112.8 | F37 T38 E39 | D35-F37 PolarHBondContact O-N 3.05Å; D35-F37 VanDerWaalsContact O-N 3.12Å; D35-T38 WeakPolarHBondContact CA-OG1 3.47Å; D35-T38 PolarHBondContact O-N 3.42Å; D35-T38 PolarHBondContact O-OG1 3.05Å; D35-T38 VanDerWaalsContact O-OG1 3.12Å; D35-E39 HydrophobicContact CB-CG 4.19Å; D35-E39 PolarHBondContact O-N 3.27Å |
| 36 | F | 66.9 | Low | 62.6 | Low | 137 Ų | 137 | 101.7 Ų | 101.7 | 60% | 0.601 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -49.2 | -37.4 | 172.5 | 180 | -99 | 0 | 0 | 0 | 113.6 | W34 | W34-F36 PolarHBondContact O-N 3.4Å; W34-F36 VanDerWaalsContact O-N 3.08Å |
| 37 | F | 64.8 | Low | 62.8 | Low | 144 Ų | 144 | 98 Ų | 98 | 63% | 0.632 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -90.6 | -0.4 | -178.6 | -63.7 | -70.4 | 0 | 0 | 0 | 114 | W34 D35 | W34-F37 HydrophobicContact CB-CD2 4.09Å; W34-F37 HydrophobicContact CB-CE2 4.49Å; W34-F37 HydrophobicContact CE3-CE2 4.19Å; W34-F37 PolarHBondContact O-N 3.49Å; D35-F37 PolarHBondContact O-N 3.05Å; D35-F37 VanDerWaalsContact O-N 3.12Å |
| 38 | T | 65.6 | Low | 62.8 | Low | 22 Ų | 22 | 102 Ų | 102 | 14% | 0.135 | 53% | 0.528 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | -32.8 | -176.8 | 41.9 | 0 | 0 | 0 | 0 | 115.3 | K33 D35 N80 V81 | K33-T38 HydrophobicContact CD-CG2 3.35Å; K33-T38 HydrophobicContact CG-CG2 3.94Å; D35-T38 WeakPolarHBondContact CA-OG1 3.47Å; D35-T38 PolarHBondContact O-N 3.42Å; D35-T38 PolarHBondContact O-OG1 3.05Å; D35-T38 VanDerWaalsContact O-OG1 3.12Å; T38-N80 PolarHBondContact O-OD1 3.44Å; T38-V81 HydrophobicContact CG2-CB 4.34Å; T38-V81 HydrophobicContact CG2-CG2 4.16Å |
| 39 | E | 64.6 | Low | 62.8 | Low | 127 Ų | 127 | 98.1 Ų | 98.1 | 59% | 0.593 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -83.1 | -20.7 | -177.5 | -67 | -166 | 153 | 0 | 0 | 112.6 | D35 T41 | D35-E39 HydrophobicContact CB-CG 4.19Å; D35-E39 PolarHBondContact O-N 3.27Å; E39-T41 PolarHBondContact O-N 3.21Å; E39-T41 PolarHBondContact O-OG1 3.16Å |
| 40 | E | 66.9 | Low | 62.6 | Low | 65 Ų | 65 | 103.2 Ų | 103.2 | 30% | 0.304 | 52% | 0.516 | S | S | . | . | trans | -63.5 | 112.6 | 178.8 | -174.4 | 173.5 | -114 | 0 | 0 | 110.5 | P46 Y48 | E40-P46 WeakPolarHBondContact OE1-CD 3.11Å; E40-Y48 PolarHBondContact OE2-OH 2.89Å; E40-Y48 VanDerWaalsContact OE2-OH 3.12Å | ||
| 41 | T | 62.3 | Low | 62.3 | Low | 28 Ų | 28 | 106.4 Ų | 106.4 | 17% | 0.172 | 51% | 0.511 | C | S | . | . | trans | -88.9 | 129.9 | 179.5 | -51.6 | 0 | 0 | 0 | 0 | 109.6 | E39 S43 T44 G45 S79 | E39-T41 PolarHBondContact O-N 3.21Å; E39-T41 PolarHBondContact O-OG1 3.16Å; T41-S43 VanDerWaalsContact CG2-OG 3.22Å; T41-S43 WeakPolarHBondContact CG2-OG 3.42Å; T41-S43 PolarHBondContact O-N 3.36Å; T41-T44 PolarHBondContact O-N 2.9Å; T41-T44 PolarHBondContact O-OG1 3.03Å; T41-G45 PolarHBondContact O-N 2.98Å; T41-S79 VanDerWaalsContact CA-O 3.25Å; T41-S79 WeakPolarHBondContact CA-O 3.44Å; T41-S79 WeakPolarHBondContact CG2-O 3.49Å | ||
| 42 | L | 61.8 | Low | 61.6 | Low | 101 Ų | 101 | 104.7 Ų | 104.7 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -21.7 | -177.9 | -70.3 | 175 | 0 | 0 | 0 | 114.7 | Y78 | L42-Y78 WeakPolarHBondContact CD1-O 3.33Š|
| 43 | S | 58.3 | Low | 60.8 | Low | 39 Ų | 39 | 107.3 Ų | 107.3 | 27% | 0.273 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -31 | 175.7 | 50.8 | 0 | 0 | 0 | 0 | 114 | T41 S69 | T41-S43 VanDerWaalsContact CG2-OG 3.22Å; T41-S43 WeakPolarHBondContact CG2-OG 3.42Å; T41-S43 PolarHBondContact O-N 3.36Å; S43-S69 PolarHBondContact O-OG 2.87Å |
| 44 | T | 61.7 | Low | 59.8 | Low | 77 Ų | 77 | 105.2 Ų | 105.2 | 47% | 0.472 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | -12.2 | -173.5 | 56.2 | 0 | 0 | 0 | 0 | 113.8 | T41 | T41-T44 PolarHBondContact O-N 2.9Å; T41-T44 PolarHBondContact O-OG1 3.03Å |
| 45 | G | 63.9 | Low | 58.5 | Low | 15 Ų | 15 | 102 Ų | 102 | 16% | 0.155 | 51% | 0.514 | C | S | . | . | S | Bend | trans | -68.4 | 158.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T41 | T41-G45 PolarHBondContact O-N 2.98Š|
| 46 | P | 61 | Low | 57.5 | Low | 87 Ų | 87 | 109.2 Ų | 109.2 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -51.8 | 149.4 | 175.7 | -19.9 | 31.6 | 0 | 0 | 0 | 111.1 | E40 Y48 | E40-P46 WeakPolarHBondContact OE1-CD 3.11Å; P46-Y48 PolarHBondContact O-N 2.93Å |
| 47 | C | 54.6 | Low | 56.2 | Low | 46 Ų | 46 | 108 Ų | 108 | 31% | 0.311 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 123.2 | 164.7 | 53.5 | 0 | 0 | 0 | 0 | 109.2 | D49 M52 R71 | C47-D49 PolarHBondContact O-N 2.97Å; C47-M52 WeakPolarHBondContact SG-CE 3.2Å; C47-M52 PolarHBondContact SG-SD 3.12Å; C47-R71 VanDerWaalsContact CA-NH2 3.28Å |
| 48 | Y | 55.7 | Low | 54.8 | Low | 192 Ų | 192 | 110 Ų | 110 | 75% | 0.753 | 55% | 0.553 | S | S | * | * | trans | -67.7 | 57 | 162.7 | -67.8 | -86 | 0 | 0 | 0 | 109.9 | E40 P46 | E40-Y48 PolarHBondContact OE2-OH 2.89Å; E40-Y48 VanDerWaalsContact OE2-OH 3.12Å; P46-Y48 PolarHBondContact O-N 2.93Å | ||
| 49 | D | 54.4 | Low | 53.6 | Low | 69 Ų | 69 | 114 Ų | 114 | 37% | 0.369 | 58% | 0.583 | S | S | . | * | trans | -95.5 | 105.7 | 162.5 | -172.4 | -6.9 | 0 | 0 | 0 | 106.7 | C47 R51 M52 | C47-D49 PolarHBondContact O-N 2.97Å; D49-R51 PolarHBondContact O-N 3.23Å; D49-R51 VanDerWaalsContact OD1-CB 3.29Å; D49-R51 WeakPolarHBondContact OD1-CB 3.42Å; D49-R51 PolarHBondContact OD1-N 3.31Å; D49-M52 HydrophobicContact CB-CB 4.21Å; D49-M52 HydrophobicContact CB-CG 4Å; D49-M52 HydrophobicContact CB-SD 4.29Å; D49-M52 PolarHBondContact O-N 3.05Å | ||
| 50 | W | 54.7 | Low | 52.1 | Low | 199 Ų | 199 | 114.3 Ų | 114.3 | 75% | 0.754 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -58.8 | -16.7 | 177.7 | 68.2 | -85.4 | 0 | 0 | 0 | 112.6 | ||
| 51 | R | 54.8 | Low | 51.1 | Low | 184 Ų | 184 | 120 Ų | 120 | 69% | 0.694 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -83.9 | -10.1 | 175.8 | -60.3 | -179.5 | 164.4 | 174.2 | -5.5 | 113.8 | D49 | D49-R51 PolarHBondContact O-N 3.23Å; D49-R51 VanDerWaalsContact OD1-CB 3.29Å; D49-R51 WeakPolarHBondContact OD1-CB 3.42Å; D49-R51 PolarHBondContact OD1-N 3.31Å |
| 52 | M | 54.3 | Low | 49.8 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 57% | 0.571 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -93.3 | 7.3 | -179.1 | -78.3 | -168.7 | 42.8 | 0 | 0 | 114.8 | C47 D49 A54 | C47-M52 WeakPolarHBondContact SG-CE 3.2Å; C47-M52 PolarHBondContact SG-SD 3.12Å; D49-M52 HydrophobicContact CB-CB 4.21Å; D49-M52 HydrophobicContact CB-CG 4Å; D49-M52 HydrophobicContact CB-SD 4.29Å; D49-M52 PolarHBondContact O-N 3.05Å; M52-A54 PolarHBondContact O-N 2.99Å |
| 53 | M | 46.4 | Very low | 48.9 | Very low | 182 Ų | 182 | 126.6 Ų | 126.6 | 90% | 0.897 | 66% | 0.661 | S | S | * | * | trans | -65.8 | 9.6 | 176.9 | -81.2 | -164.5 | -176.1 | 0 | 0 | 115.4 | ||||
| 54 | A | 44.1 | Very low | 47.9 | Very low | 88 Ų | 88 | 131.7 Ų | 131.7 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | trans | -131.1 | 50.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | M52 | M52-A54 PolarHBondContact O-N 2.99Š| ||
| 55 | V | 44 | Very low | 46.8 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 75% | 0.745 | 70% | 0.701 | S | S | * | * | trans | -139.6 | 102.5 | 151.3 | -172 | 0 | 0 | 0 | 0 | 108.6 | S57 | V55-S57 PolarHBondContact O-N 2.9Š| ||
| 56 | R | 46.3 | Very low | 46.1 | Very low | 252 Ų | 252 | 137.6 Ų | 137.6 | 95% | 0.951 | 72% | 0.724 | S | S | * | * | trans | -68.1 | 107.5 | 157.6 | -82.3 | -179 | 174.9 | 177.9 | -2.2 | 106.4 | ||||
| 57 | S | 39.2 | Very low | 45.3 | Very low | 112 Ų | 112 | 137.7 Ų | 137.7 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | trans | -86.6 | 108.4 | 160 | -92.5 | 0 | 0 | 0 | 0 | 107.7 | V55 | V55-S57 PolarHBondContact O-N 2.9Š| ||
| 58 | E | 36.7 | Very low | 44.7 | Very low | 185 Ų | 185 | 142.9 Ų | 142.9 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | -59.4 | 144 | 161.6 | -79.9 | 174.7 | 152.2 | 0 | 0 | 109.9 | ||||
| 59 | S | 39.4 | Very low | 44.5 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | -24.2 | 137.3 | 175.4 | 52.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 60 | T | 33.1 | Very low | 44.5 | Very low | 132 Ų | 132 | 143 Ų | 143 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | -167.1 | 138.9 | 116.3 | -64.6 | 0 | 0 | 0 | 0 | 108.3 | E62 | T60-E62 PolarHBondContact O-N 2.92Š| |||
| 61 | E | 45.5 | Very low | 44.7 | Very low | 185 Ų | 185 | 139 Ų | 139 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | trans | -45.6 | 119.6 | 173.3 | -56.8 | 172.8 | 148.3 | 0 | 0 | 111.7 | ||||
| 62 | E | 35.1 | Very low | 44.7 | Very low | 178 Ų | 178 | 141.2 Ų | 141.2 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | -150.1 | 124 | 151.2 | -74.1 | -155.2 | 160.4 | 0 | 0 | 109.7 | T60 | T60-E62 PolarHBondContact O-N 2.92Š| ||
| 63 | A | 44.4 | Very low | 44.7 | Very low | 89 Ų | 89 | 140.1 Ų | 140.1 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.2 | 150.2 | 159 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 64 | D | 37.5 | Very low | 45 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.1 | 27.4 | 172.4 | -56 | -26 | 0 | 0 | 0 | 119.2 | N66 | D64-N66 PolarHBondContact O-N 2.87Š|
| 65 | A | 38.6 | Very low | 45.3 | Very low | 97 Ų | 97 | 141.4 Ų | 141.4 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 2.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 66 | N | 47.8 | Very low | 45.7 | Very low | 118 Ų | 118 | 140 Ų | 140 | 63% | 0.631 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 2.6 | -171.7 | -99.7 | 27.5 | 0 | 0 | 0 | 115.8 | D64 | D64-N66 PolarHBondContact O-N 2.87Š|
| 67 | A | 44.2 | Very low | 46 | Very low | 89 Ų | 89 | 132 Ų | 132 | 74% | 0.736 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -83.3 | -15.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 68 | N | 42.8 | Very low | 46.7 | Very low | 155 Ų | 155 | 135 Ų | 135 | 83% | 0.829 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -108.8 | -1.5 | -168.9 | -81.4 | -22.8 | 0 | 0 | 0 | 116.1 | K70 | N68-K70 PolarHBondContact O-N 3.46Å; N68-K70 VanDerWaalsContact O-N 3.11Å |
| 69 | S | 50.8 | Low | 47.8 | Very low | 60 Ų | 60 | 126.8 Ų | 126.8 | 42% | 0.42 | 68% | 0.678 | S | S | . | * | trans | -80.1 | 95.7 | 175.6 | -170.2 | 0 | 0 | 0 | 0 | 110.1 | S43 R71 | S43-S69 PolarHBondContact O-OG 2.87Å; S69-R71 PolarHBondContact O-N 3.44Å; S69-R71 WeakPolarHBondContact OG-CB 3.46Å; S69-R71 WeakPolarHBondContact OG-CD 3.46Å; S69-R71 WeakPolarHBondContact OG-CG 3.39Å | ||
| 70 | K | 54.4 | Low | 48.8 | Very low | 203 Ų | 203 | 123.1 Ų | 123.1 | 88% | 0.883 | 65% | 0.649 | S | S | * | * | trans | -66.9 | 12.5 | 171.2 | -66.3 | -177.5 | -179.3 | 177.7 | 0 | 113.5 | N68 R72 | N68-K70 PolarHBondContact O-N 3.46Å; N68-K70 VanDerWaalsContact O-N 3.11Å; K70-R72 PolarHBondContact O-N 2.92Å | ||
| 71 | R | 59.6 | Low | 50.3 | Low | 117 Ų | 117 | 121 Ų | 121 | 44% | 0.442 | 64% | 0.636 | S | S | . | * | trans | -75.1 | 115.8 | -175.9 | -66.9 | -179.4 | 175.7 | -169.1 | -5.6 | 109.2 | C47 S69 | C47-R71 VanDerWaalsContact CA-NH2 3.28Å; S69-R71 PolarHBondContact O-N 3.44Å; S69-R71 WeakPolarHBondContact OG-CB 3.46Å; S69-R71 WeakPolarHBondContact OG-CD 3.46Å; S69-R71 WeakPolarHBondContact OG-CG 3.39Å | ||
| 72 | R | 55.1 | Low | 51.1 | Low | 230 Ų | 230 | 117 Ų | 117 | 87% | 0.868 | 63% | 0.628 | S | S | * | * | trans | -96.3 | 133.3 | 174 | -69 | -178.8 | 59.5 | 165.8 | -1 | 109.5 | K70 V74 | K70-R72 PolarHBondContact O-N 2.92Å; R72-V74 PolarHBondContact O-N 3.17Å | ||
| 73 | I | 54.3 | Low | 52.1 | Low | 92 Ų | 92 | 111.4 Ų | 111.4 | 47% | 0.472 | 61% | 0.609 | S | S | . | * | trans | -64.9 | 117.7 | 174 | -62.5 | 170.3 | 0 | 0 | 0 | 107.9 | W75 | I73-W75 VanDerWaalsContact CG2-O 3.26Å; I73-W75 WeakPolarHBondContact CG2-O 3.33Å | ||
| 74 | V | 52.3 | Low | 53 | Low | 126 Ų | 126 | 109 Ų | 109 | 76% | 0.764 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -79.1 | -29.7 | 179.4 | -174.6 | 0 | 0 | 0 | 0 | 110.9 | R72 | R72-V74 PolarHBondContact O-N 3.17Š|
| 75 | W | 50 | Low | 54 | Low | 171 Ų | 171 | 108.9 Ų | 108.9 | 65% | 0.648 | 58% | 0.584 | S | S | * | * | trans | -146.9 | 126.3 | 180 | -78.9 | 98.1 | 0 | 0 | 0 | 111.3 | I73 C77 Y78 | I73-W75 VanDerWaalsContact CG2-O 3.26Å; I73-W75 WeakPolarHBondContact CG2-O 3.33Å; W75-C77 PolarHBondContact O-N 2.99Å; W75-C77 VanDerWaalsContact O-N 3.1Å; W75-Y78 HydrophobicContact CB-CD2 3.74Å; W75-Y78 HydrophobicContact CB-CE2 4.24Å; W75-Y78 PolarHBondContact O-N 3.28Å | ||
| 76 | P | 52.7 | Low | 55.2 | Low | 94 Ų | 94 | 107 Ų | 107 | 61% | 0.61 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -61.7 | -20.3 | -176.3 | -21.2 | 30.8 | 0 | 0 | 0 | 114.7 | Y78 S79 | P76-Y78 VanDerWaalsContact C-N 3.32Å; P76-Y78 PolarHBondContact O-N 3.39Å; P76-S79 PolarHBondContact O-OG 2.89Å |
| 77 | C | 52.7 | Low | 56.3 | Low | 84 Ų | 84 | 105 Ų | 105 | 57% | 0.568 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -82.3 | -8.9 | -171.7 | -40.8 | 0 | 0 | 0 | 0 | 113.7 | W75 | W75-C77 PolarHBondContact O-N 2.99Å; W75-C77 VanDerWaalsContact O-N 3.1Å |
| 78 | Y | 54.3 | Low | 57.4 | Low | 174 Ų | 174 | 101 Ų | 101 | 68% | 0.682 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -116.4 | 1.9 | -174.2 | -64.3 | -77.2 | 0 | 0 | 0 | 113.4 | L42 W75 P76 | L42-Y78 WeakPolarHBondContact CD1-O 3.33Å; W75-Y78 HydrophobicContact CB-CD2 3.74Å; W75-Y78 HydrophobicContact CB-CE2 4.24Å; W75-Y78 PolarHBondContact O-N 3.28Å; P76-Y78 VanDerWaalsContact C-N 3.32Å; P76-Y78 PolarHBondContact O-N 3.39Å |
| 79 | S | 59.3 | Low | 58.9 | Low | 14 Ų | 14 | 99.2 Ų | 99.2 | 10% | 0.098 | 51% | 0.509 | C | S | . | . | S | Bend | trans | -78 | -48.3 | -176.5 | 53.2 | 0 | 0 | 0 | 0 | 112.3 | T41 P76 | T41-S79 VanDerWaalsContact CA-O 3.25Å; T41-S79 WeakPolarHBondContact CA-O 3.44Å; T41-S79 WeakPolarHBondContact CG2-O 3.49Å; P76-S79 PolarHBondContact O-OG 2.89Å |
| 80 | N | 61.2 | Low | 60 | Low | 30 Ų | 30 | 99.4 Ų | 99.4 | 16% | 0.16 | 51% | 0.508 | C | S | . | . | trans | -151 | 132.9 | 178.8 | -178.5 | -16.6 | 0 | 0 | 0 | 108.6 | T38 S82 S83 A84 | T38-N80 PolarHBondContact O-OD1 3.44Å; N80-S82 VanDerWaalsContact CG-OG 3.23Å; N80-S82 PolarHBondContact ND2-OG 3.24Å; N80-S82 PolarHBondContact O-N 2.81Å; N80-S82 PolarHBondContact OD1-N 3.46Å; N80-S82 PolarHBondContact OD1-OG 3.43Å; N80-S83 WeakPolarHBondContact CB-OG 3.5Å; N80-S83 CarbonylContact O-C 3.53Å; N80-S83 PolarHBondContact O-N 3.31Å; N80-S83 PolarHBondContact O-OG 3.43Å; N80-S83 VanDerWaalsContact O-OG 3.11Å; N80-A84 PolarHBondContact O-N 2.9Å | ||
| 81 | V | 63 | Low | 61.1 | Low | 88 Ų | 88 | 92.4 Ų | 92.4 | 53% | 0.533 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -64.6 | -32.5 | -179.4 | -179.2 | 0 | 0 | 0 | 0 | 111 | T38 S83 A84 | T38-V81 HydrophobicContact CG2-CB 4.34Å; T38-V81 HydrophobicContact CG2-CG2 4.16Å; V81-S83 VanDerWaalsContact C-N 3.34Å; V81-A84 WeakPolarHBondContact O-CB 3.18Å; V81-A84 PolarHBondContact O-N 3.44Å |
| 82 | S | 62.2 | Low | 62 | Low | 100 Ų | 100 | 89.8 Ų | 89.8 | 70% | 0.699 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -24.1 | 176.9 | 67.2 | 0 | 0 | 0 | 0 | 113.3 | N80 | N80-S82 VanDerWaalsContact CG-OG 3.23Å; N80-S82 PolarHBondContact ND2-OG 3.24Å; N80-S82 PolarHBondContact O-N 2.81Å; N80-S82 PolarHBondContact OD1-N 3.46Å; N80-S82 PolarHBondContact OD1-OG 3.43Å |
| 83 | S | 57.5 | Low | 63.3 | Low | 61 Ų | 61 | 84 Ų | 84 | 43% | 0.427 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -2.1 | 173.8 | 76.1 | 0 | 0 | 0 | 0 | 113.1 | N80 V81 Q85 | N80-S83 WeakPolarHBondContact CB-OG 3.5Å; N80-S83 CarbonylContact O-C 3.53Å; N80-S83 PolarHBondContact O-N 3.31Å; N80-S83 PolarHBondContact O-OG 3.43Å; N80-S83 VanDerWaalsContact O-OG 3.11Å; V81-S83 VanDerWaalsContact C-N 3.34Å; S83-Q85 PolarHBondContact O-N 3.37Å |
| 84 | A | 62.3 | Low | 64.6 | Low | 40 Ų | 40 | 83.4 Ų | 83.4 | 33% | 0.331 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -65.3 | 124 | 179.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | N80 V81 | N80-A84 PolarHBondContact O-N 2.9Å; V81-A84 WeakPolarHBondContact O-CB 3.18Å; V81-A84 PolarHBondContact O-N 3.44Å |
| 85 | Q | 59.1 | Low | 66 | Low | 144 Ų | 144 | 79.7 Ų | 79.7 | 67% | 0.673 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 132.9 | 175.5 | -68.8 | -66.8 | -50.5 | 0 | 0 | 108.8 | S83 D87 | S83-Q85 PolarHBondContact O-N 3.37Å; Q85-D87 PolarHBondContact O-N 2.91Å |
| 86 | P | 62.9 | Low | 67.7 | Low | 57 Ų | 57 | 75.5 Ų | 75.5 | 37% | 0.37 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 141.9 | 177.9 | 23.1 | -31.9 | 0 | 0 | 0 | 109.2 | T90 K91 F186 | P86-T90 HydrophobicContact CB-CG2 4Å; P86-K91 HydrophobicContact CG-CB 4.3Å; P86-F186 VanDerWaalsContact O-CE1 3.24Å; P86-F186 WeakPolarHBondContact O-CE1 3.26Å |
| 87 | D | 70.8 | Confident | 69.1 | Low | 76 Ų | 76 | 77.5 Ų | 77.5 | 41% | 0.406 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 160 | 176.8 | 72.1 | 85.8 | 0 | 0 | 0 | 110.6 | Q85 I89 T90 K91 | Q85-D87 PolarHBondContact O-N 2.91Å; D87-I89 PolarHBondContact O-N 2.84Å; D87-I89 VanDerWaalsContact O-N 3.07Å; D87-I89 WeakPolarHBondContact OD1-CA 3.36Å; D87-I89 VanDerWaalsContact OD1-CB 3.27Å; D87-I89 WeakPolarHBondContact OD1-CB 3.43Å; D87-I89 PolarHBondContact OD1-N 3.24Å; D87-T90 PolarHBondContact O-N 2.84Å; D87-T90 VanDerWaalsContact O-N 3.09Å; D87-T90 PolarHBondContact OD1-N 2.99Å; D87-T90 VanDerWaalsContact OD1-N 3.1Å; D87-T90 WeakPolarHBondContact OD2-CB 3.39Å; D87-T90 PolarHBondContact OD2-OG1 2.95Å; D87-K91 PolarHBondContact O-N 3.29Å |
| 88 | A | 68.1 | Low | 70.7 | Confident | 5 Ų | 5 | 79.2 Ų | 79.2 | 4% | 0.041 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -55.4 | -32.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114 | L92 Y183 F186 | A88-L92 WeakPolarHBondContact O-CB 3.43Å; A88-L92 WeakPolarHBondContact O-CD1 3.44Å; A88-L92 WeakPolarHBondContact O-CG 3.35Å; A88-L92 PolarHBondContact O-N 3.2Å; A88-Y183 HydrophobicContact CB-CE2 4.35Å; A88-F186 HydrophobicContact CB-CD2 3.9Å; A88-F186 HydrophobicContact CB-CE2 3.38Å; A88-F186 HydrophobicContact CB-CZ 4.1Å |
| 89 | I | 73.9 | Confident | 72.1 | Confident | 118 Ų | 118 | 75.1 Ų | 75.1 | 61% | 0.605 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -74.8 | -49.4 | 179.8 | -57.1 | 173.2 | 0 | 0 | 0 | 109 | D87 K91 L92 L93 | D87-I89 PolarHBondContact O-N 2.84Å; D87-I89 VanDerWaalsContact O-N 3.07Å; D87-I89 WeakPolarHBondContact OD1-CA 3.36Å; D87-I89 VanDerWaalsContact OD1-CB 3.27Å; D87-I89 WeakPolarHBondContact OD1-CB 3.43Å; D87-I89 PolarHBondContact OD1-N 3.24Å; I89-K91 VanDerWaalsContact C-N 3.32Å; I89-K91 PolarHBondContact O-N 2.98Å; I89-L92 PolarHBondContact O-N 3.28Å; I89-L93 HydrophobicContact CG2-CD1 4Å; I89-L93 HydrophobicContact CG2-CG 4.42Å; I89-L93 WeakPolarHBondContact O-CG 3.27Å; I89-L93 PolarHBondContact O-N 2.94Å |
| 90 | T | 74.3 | Confident | 73.3 | Confident | 64 Ų | 64 | 76.5 Ų | 76.5 | 39% | 0.393 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -57.4 | -46 | 178.8 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | P86 D87 L92 L93 T94 | P86-T90 HydrophobicContact CB-CG2 4Å; D87-T90 PolarHBondContact O-N 2.84Å; D87-T90 VanDerWaalsContact O-N 3.09Å; D87-T90 PolarHBondContact OD1-N 2.99Å; D87-T90 VanDerWaalsContact OD1-N 3.1Å; D87-T90 WeakPolarHBondContact OD2-CB 3.39Å; D87-T90 PolarHBondContact OD2-OG1 2.95Å; T90-L92 PolarHBondContact O-N 3.48Å; T90-L93 PolarHBondContact O-N 2.79Å; T90-T94 PolarHBondContact O-N 3.33Å; T90-T94 VanDerWaalsContact O-N 3.08Å; T90-T94 PolarHBondContact O-OG1 3.5Å |
| 91 | K | 77.9 | Confident | 74.3 | Confident | 56 Ų | 56 | 77.4 Ų | 77.4 | 24% | 0.243 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 177.6 | -173.8 | 177.3 | -172.1 | 174.2 | 0 | 112.6 | P86 D87 I89 L93 T94 D95 F186 | P86-K91 HydrophobicContact CG-CB 4.3Å; D87-K91 PolarHBondContact O-N 3.29Å; I89-K91 VanDerWaalsContact C-N 3.32Å; I89-K91 PolarHBondContact O-N 2.98Å; K91-L93 VanDerWaalsContact C-N 3.33Å; K91-L93 PolarHBondContact O-N 3.36Å; K91-T94 PolarHBondContact O-N 2.98Å; K91-D95 PolarHBondContact O-N 3.4Å; K91-F186 HydrophobicContact CB-CZ 3.95Å; K91-F186 HydrophobicContact CD-CE1 4.02Å; K91-F186 HydrophobicContact CD-CE2 4.36Å; K91-F186 HydrophobicContact CD-CZ 3.49Å; K91-F186 VanDerWaalsContact CD-CZ 3.49Å; K91-F186 HydrophobicContact CG-CZ 4.35Å |
| 92 | L | 78.8 | Confident | 75.6 | Confident | 61 Ų | 61 | 79 Ų | 79 | 32% | 0.319 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.2 | -37.9 | -179.6 | -76.3 | 170.2 | 0 | 0 | 0 | 112.2 | A88 I89 T90 D95 I96 L182 | A88-L92 WeakPolarHBondContact O-CB 3.43Å; A88-L92 WeakPolarHBondContact O-CD1 3.44Å; A88-L92 WeakPolarHBondContact O-CG 3.35Å; A88-L92 PolarHBondContact O-N 3.2Å; I89-L92 PolarHBondContact O-N 3.28Å; T90-L92 PolarHBondContact O-N 3.48Å; L92-D95 PolarHBondContact O-N 2.88Å; L92-I96 WeakPolarHBondContact O-CB 3.45Å; L92-I96 WeakPolarHBondContact O-CD1 3.41Å; L92-I96 WeakPolarHBondContact O-CG1 3.29Å; L92-I96 PolarHBondContact O-N 3.35Å; L92-L182 HydrophobicContact CD1-CD2 3.47Å; L92-L182 VanDerWaalsContact CD1-CD2 3.47Å |
| 93 | L | 81.4 | Confident | 76.7 | Confident | 108 Ų | 108 | 79.5 Ų | 79.5 | 57% | 0.565 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -63.5 | -42.4 | 175.5 | -70.1 | 172.3 | 0 | 0 | 0 | 111.4 | I89 T90 K91 I96 E97 | I89-L93 HydrophobicContact CG2-CD1 4Å; I89-L93 HydrophobicContact CG2-CG 4.42Å; I89-L93 WeakPolarHBondContact O-CG 3.27Å; I89-L93 PolarHBondContact O-N 2.94Å; T90-L93 PolarHBondContact O-N 2.79Å; K91-L93 VanDerWaalsContact C-N 3.33Å; K91-L93 PolarHBondContact O-N 3.36Å; L93-I96 PolarHBondContact O-N 3.45Å; L93-E97 PolarHBondContact O-N 2.8Å |
| 94 | T | 82.7 | Confident | 77.8 | Confident | 81 Ų | 81 | 84.1 Ų | 84.1 | 50% | 0.497 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 174.5 | -49.4 | 0 | 0 | 0 | 0 | 112.2 | T90 K91 E97 R98 | T90-T94 PolarHBondContact O-N 3.33Å; T90-T94 VanDerWaalsContact O-N 3.08Å; T90-T94 PolarHBondContact O-OG1 3.5Å; K91-T94 PolarHBondContact O-N 2.98Å; T94-E97 PolarHBondContact O-N 2.98Å; T94-R98 WeakPolarHBondContact O-CB 3.24Å; T94-R98 PolarHBondContact O-N 2.84Å |
| 95 | D | 82 | Confident | 78.3 | Confident | 48 Ų | 48 | 87.9 Ų | 87.9 | 26% | 0.257 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.7 | -38.9 | 176.4 | -82.2 | -28.7 | 0 | 0 | 0 | 112 | K91 L92 R98 L99 | K91-D95 PolarHBondContact O-N 3.4Å; L92-D95 PolarHBondContact O-N 2.88Å; D95-R98 PolarHBondContact O-N 2.69Å; D95-R98 IonicContact OD1-NE 2.71Å; D95-R98 IonicContact OD1-NH2 3.08Å; D95-L99 WeakPolarHBondContact O-CB 3.42Å; D95-L99 WeakPolarHBondContact O-CG 3.46Å; D95-L99 PolarHBondContact O-N 3.35Å |
| 96 | I | 84.1 | Confident | 78.9 | Confident | 82 Ų | 82 | 83.7 Ų | 83.7 | 42% | 0.421 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.2 | -49.9 | 173.5 | -72.3 | 163.3 | 0 | 0 | 0 | 109.7 | L92 L93 R98 L99 E100 | L92-I96 WeakPolarHBondContact O-CB 3.45Å; L92-I96 WeakPolarHBondContact O-CD1 3.41Å; L92-I96 WeakPolarHBondContact O-CG1 3.29Å; L92-I96 PolarHBondContact O-N 3.35Å; L93-I96 PolarHBondContact O-N 3.45Å; I96-R98 VanDerWaalsContact C-N 3.29Å; I96-R98 PolarHBondContact O-N 3.48Å; I96-L99 PolarHBondContact O-N 2.81Å; I96-L99 VanDerWaalsContact O-N 3.14Å; I96-E100 HydrophobicContact CG2-CG 4.14Å; I96-E100 WeakPolarHBondContact O-CB 3.43Å; I96-E100 VanDerWaalsContact O-CG 3.3Å; I96-E100 WeakPolarHBondContact O-CG 3.35Å; I96-E100 PolarHBondContact O-N 2.97Å |
| 97 | E | 82.3 | Confident | 79 | Confident | 137 Ų | 137 | 86.1 Ų | 86.1 | 64% | 0.64 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -58.7 | -41.3 | 178.8 | -175.7 | 176.9 | -164.9 | 0 | 0 | 111.9 | L93 T94 G101 | L93-E97 PolarHBondContact O-N 2.8Å; T94-E97 PolarHBondContact O-N 2.98Å; E97-G101 PolarHBondContact O-N 2.72Å |
| 98 | R | 86.6 | Confident | 78.8 | Confident | 119 Ų | 119 | 89 Ų | 89 | 45% | 0.449 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.4 | -48 | 174.3 | -176.7 | -176.6 | 63.1 | 77.5 | 4.9 | 111.9 | T94 D95 I96 G101 E102 | T94-R98 WeakPolarHBondContact O-CB 3.24Å; T94-R98 PolarHBondContact O-N 2.84Å; D95-R98 PolarHBondContact O-N 2.69Å; D95-R98 IonicContact OD1-NE 2.71Å; D95-R98 IonicContact OD1-NH2 3.08Å; I96-R98 VanDerWaalsContact C-N 3.29Å; I96-R98 PolarHBondContact O-N 3.48Å; R98-G101 PolarHBondContact O-N 2.6Å; R98-E102 IonicContact CZ-OE1 3.2Å; R98-E102 VanDerWaalsContact NH1-CD 3.25Å; R98-E102 IonicContact NH1-OE1 2.67Å; R98-E102 PolarHBondContact NH1-OE1 2.95Å; R98-E102 IonicContact NH1-OE2 3.72Å; R98-E102 PolarHBondContact NH1-OE2 3.41Å; R98-E102 WeakPolarHBondContact O-CG 3.22Å; R98-E102 PolarHBondContact O-N 3.41Å |
| 99 | L | 84.4 | Confident | 79 | Confident | 88 Ų | 88 | 96.2 Ų | 96.2 | 46% | 0.461 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.5 | -37.5 | -179.4 | -72.5 | 169.8 | 0 | 0 | 0 | 112.1 | D95 I96 G101 E102 L103 | D95-L99 WeakPolarHBondContact O-CB 3.42Å; D95-L99 WeakPolarHBondContact O-CG 3.46Å; D95-L99 PolarHBondContact O-N 3.35Å; I96-L99 PolarHBondContact O-N 2.81Å; I96-L99 VanDerWaalsContact O-N 3.14Å; L99-G101 VanDerWaalsContact C-N 3.33Å; L99-E102 PolarHBondContact O-N 2.94Å; L99-L103 WeakPolarHBondContact O-CB 3.36Å; L99-L103 PolarHBondContact O-N 3.1Å |
| 100 | E | 84.6 | Confident | 78.9 | Confident | 43 Ų | 43 | 98.6 Ų | 98.6 | 20% | 0.201 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 172.4 | -75.2 | 178.6 | 159.4 | 0 | 0 | 110.6 | I96 L103 N104 Q105 | I96-E100 HydrophobicContact CG2-CG 4.14Å; I96-E100 WeakPolarHBondContact O-CB 3.43Å; I96-E100 VanDerWaalsContact O-CG 3.3Å; I96-E100 WeakPolarHBondContact O-CG 3.35Å; I96-E100 PolarHBondContact O-N 2.97Å; E100-L103 CarbonylContact O-C 3.6Å; E100-L103 PolarHBondContact O-N 3.37Å; E100-N104 PolarHBondContact O-N 3.33Å; E100-N104 VanDerWaalsContact O-N 3.13Å; E100-Q105 CarbonylContact C-O 3.57Å; E100-Q105 PolarHBondContact O-N 3.29Å |
| 101 | G | 82.6 | Confident | 78.4 | Confident | 49 Ų | 49 | 101.6 Ų | 101.6 | 51% | 0.505 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E97 R98 L99 L103 N104 | E97-G101 PolarHBondContact O-N 2.72Å; R98-G101 PolarHBondContact O-N 2.6Å; L99-G101 VanDerWaalsContact C-N 3.33Å; G101-L103 VanDerWaalsContact C-N 3.27Å; G101-L103 PolarHBondContact O-N 2.94Å; G101-N104 PolarHBondContact O-N 3.02Å |
| 102 | E | 88.8 | Confident | 78.2 | Confident | 122 Ų | 122 | 102.4 Ų | 102.4 | 57% | 0.57 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.6 | -30.4 | 176.2 | -74.7 | 173.7 | -172.2 | 0 | 0 | 112.9 | R98 L99 N104 | R98-E102 IonicContact CZ-OE1 3.2Å; R98-E102 VanDerWaalsContact NH1-CD 3.25Å; R98-E102 IonicContact NH1-OE1 2.67Å; R98-E102 PolarHBondContact NH1-OE1 2.95Å; R98-E102 IonicContact NH1-OE2 3.72Å; R98-E102 PolarHBondContact NH1-OE2 3.41Å; R98-E102 WeakPolarHBondContact O-CG 3.22Å; R98-E102 PolarHBondContact O-N 3.41Å; L99-E102 PolarHBondContact O-N 2.94Å; E102-N104 VanDerWaalsContact C-N 3.32Å |
| 103 | L | 85.1 | Confident | 78 | Confident | 111 Ų | 111 | 101.9 Ų | 101.9 | 58% | 0.581 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 4.7 | 178.4 | -159.7 | 60.2 | 0 | 0 | 0 | 112.7 | L99 E100 G101 Q105 | L99-L103 WeakPolarHBondContact O-CB 3.36Å; L99-L103 PolarHBondContact O-N 3.1Å; E100-L103 CarbonylContact O-C 3.6Å; E100-L103 PolarHBondContact O-N 3.37Å; G101-L103 VanDerWaalsContact C-N 3.27Å; G101-L103 PolarHBondContact O-N 2.94Å; L103-Q105 HydrophobicContact CB-CG 4.13Å; L103-Q105 HydrophobicContact CD2-CG 4.06Å; L103-Q105 HydrophobicContact CG-CG 3.95Å; L103-Q105 PolarHBondContact O-N 2.95Å; L103-Q105 VanDerWaalsContact O-N 3.08Å |
| 104 | N | 81.9 | Confident | 77.5 | Confident | 158 Ų | 158 | 99.9 Ų | 99.9 | 85% | 0.845 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 26.3 | -172.5 | -78.7 | 72.9 | 0 | 0 | 0 | 113.3 | E100 G101 E102 | E100-N104 PolarHBondContact O-N 3.33Å; E100-N104 VanDerWaalsContact O-N 3.13Å; G101-N104 PolarHBondContact O-N 3.02Å; E102-N104 VanDerWaalsContact C-N 3.32Å |
| 105 | Q | 72.3 | Confident | 77.1 | Confident | 118 Ų | 118 | 100.5 Ų | 100.5 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -88.7 | 130.3 | 174.3 | -65.6 | -168.6 | 5 | 0 | 0 | 108.5 | E100 L103 | E100-Q105 CarbonylContact C-O 3.57Å; E100-Q105 PolarHBondContact O-N 3.29Å; L103-Q105 HydrophobicContact CB-CG 4.13Å; L103-Q105 HydrophobicContact CD2-CG 4.06Å; L103-Q105 HydrophobicContact CG-CG 3.95Å; L103-Q105 PolarHBondContact O-N 2.95Å; L103-Q105 VanDerWaalsContact O-N 3.08Å |
| 106 | G | 70.7 | Confident | 76.8 | Confident | 57 Ų | 57 | 106.4 Ų | 106.4 | 59% | 0.588 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 154.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | E108 | G106-E108 PolarHBondContact O-N 3.03Š|
| 107 | P | 65.7 | Low | 76.3 | Confident | 107 Ų | 107 | 104.9 Ų | 104.9 | 70% | 0.695 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 131.7 | -179.9 | 22 | -33.2 | 0 | 0 | 0 | 110.2 | K109 | P107-K109 PolarHBondContact O-N 2.87Š|
| 108 | E | 67.4 | Low | 75.8 | Confident | 137 Ų | 137 | 104.8 Ų | 104.8 | 64% | 0.64 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 134.1 | -178.3 | -157.5 | -174.4 | 171 | 0 | 0 | 109.5 | G106 W110 | G106-E108 PolarHBondContact O-N 3.03Å; E108-W110 PolarHBondContact O-N 3.2Å |
| 109 | K | 72.6 | Confident | 75.1 | Confident | 157 Ų | 157 | 103.8 Ų | 103.8 | 68% | 0.683 | 53% | 0.526 | S | S | * | . | trans | -73.4 | 72.6 | -179 | -65.6 | -176.8 | -176.3 | 177.9 | 0 | 109.9 | P107 Q111 T112 T113 | P107-K109 PolarHBondContact O-N 2.87Å; K109-Q111 PolarHBondContact O-N 3.12Å; K109-T112 HydrophobicContact CB-CG2 4.01Å; K109-T112 WeakPolarHBondContact CB-OG1 3.42Å; K109-T112 HydrophobicContact CD-CG2 4.34Å; K109-T112 PolarHBondContact O-N 3.12Å; K109-T112 PolarHBondContact O-OG1 2.74Å; K109-T113 PolarHBondContact O-N 2.95Å | ||
| 110 | W | 70.7 | Confident | 74.5 | Confident | 167 Ų | 167 | 102.3 Ų | 102.3 | 63% | 0.633 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -50.9 | -30.7 | -178.9 | 65.3 | -97.3 | 0 | 0 | 0 | 112.3 | E108 T112 T113 L114 | E108-W110 PolarHBondContact O-N 3.2Å; W110-T112 VanDerWaalsContact C-N 3.33Å; W110-T112 PolarHBondContact O-N 3.24Å; W110-T113 PolarHBondContact O-N 3.12Å; W110-L114 HydrophobicContact CE3-CD2 4.17Å; W110-L114 HydrophobicContact CZ3-CD2 3.83Å; W110-L114 WeakPolarHBondContact O-CB 2.8Å; W110-L114 PolarHBondContact O-N 2.89Å |
| 111 | Q | 65.1 | Low | 73.9 | Confident | 127 Ų | 127 | 102.7 Ų | 102.7 | 59% | 0.593 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.9 | -42.1 | 174.6 | -65 | -177.6 | 8 | 0 | 0 | 112 | K109 E115 | K109-Q111 PolarHBondContact O-N 3.12Å; Q111-E115 VanDerWaalsContact O-CB 3.26Å; Q111-E115 WeakPolarHBondContact O-CB 3.19Å; Q111-E115 PolarHBondContact O-N 3.19Å |
| 112 | T | 73.2 | Confident | 73.3 | Confident | 73 Ų | 73 | 105.8 Ų | 105.8 | 45% | 0.448 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.7 | -37.2 | 179.2 | 61.9 | 0 | 0 | 0 | 0 | 112.1 | K109 W110 R116 | K109-T112 HydrophobicContact CB-CG2 4.01Å; K109-T112 WeakPolarHBondContact CB-OG1 3.42Å; K109-T112 HydrophobicContact CD-CG2 4.34Å; K109-T112 PolarHBondContact O-N 3.12Å; K109-T112 PolarHBondContact O-OG1 2.74Å; W110-T112 VanDerWaalsContact C-N 3.33Å; W110-T112 PolarHBondContact O-N 3.24Å; T112-R116 WeakPolarHBondContact O-CB 3.34Å; T112-R116 PolarHBondContact O-N 3.28Å |
| 113 | T | 74.2 | Confident | 72.4 | Confident | 50 Ų | 50 | 106.2 Ų | 106.2 | 31% | 0.307 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.5 | -44.1 | 174.4 | -54 | 0 | 0 | 0 | 0 | 110.7 | K109 W110 E115 R116 V117 | K109-T113 PolarHBondContact O-N 2.95Å; W110-T113 PolarHBondContact O-N 3.12Å; T113-E115 PolarHBondContact O-N 2.97Å; T113-R116 WeakPolarHBondContact O-CB 3.39Å; T113-R116 PolarHBondContact O-N 3.08Å; T113-V117 WeakPolarHBondContact O-CG2 3.25Å; T113-V117 PolarHBondContact O-N 3.38Å |
| 114 | L | 71.3 | Confident | 71.7 | Confident | 67 Ų | 67 | 104.8 Ų | 104.8 | 35% | 0.351 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 176.2 | -177.7 | 65.7 | 0 | 0 | 0 | 111.8 | W110 V117 R118 | W110-L114 HydrophobicContact CE3-CD2 4.17Å; W110-L114 HydrophobicContact CZ3-CD2 3.83Å; W110-L114 WeakPolarHBondContact O-CB 2.8Å; W110-L114 PolarHBondContact O-N 2.89Å; L114-V117 PolarHBondContact O-N 3.4Å; L114-R118 WeakPolarHBondContact O-CG 3.44Å; L114-R118 PolarHBondContact O-N 3.35Å |
| 115 | E | 73.3 | Confident | 70.9 | Confident | 93 Ų | 93 | 102.5 Ų | 102.5 | 44% | 0.435 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.2 | -37.7 | 178.6 | -156.3 | 61.1 | -159.1 | 0 | 0 | 111.3 | Q111 T113 V117 R118 L119 | Q111-E115 VanDerWaalsContact O-CB 3.26Å; Q111-E115 WeakPolarHBondContact O-CB 3.19Å; Q111-E115 PolarHBondContact O-N 3.19Å; T113-E115 PolarHBondContact O-N 2.97Å; E115-V117 VanDerWaalsContact C-N 3.35Å; E115-V117 PolarHBondContact O-N 3.48Å; E115-R118 PolarHBondContact O-N 3.24Å; E115-R118 WeakPolarHBondContact OE2-CD 3.42Å; E115-R118 IonicContact OE2-CZ 3.98Å; E115-R118 IonicContact OE2-NH1 2.99Å; E115-R118 PolarHBondContact OE2-NH1 2.72Å; E115-L119 WeakPolarHBondContact O-CG 3.38Å; E115-L119 PolarHBondContact O-N 3.47Å |
| 116 | R | 75.4 | Confident | 70.5 | Confident | 173 Ų | 173 | 104.2 Ų | 104.2 | 65% | 0.653 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.4 | -42.7 | 171.5 | -169.1 | -174 | -59.2 | 151.7 | 4 | 111.9 | T112 T113 L119 S120 | T112-R116 WeakPolarHBondContact O-CB 3.34Å; T112-R116 PolarHBondContact O-N 3.28Å; T113-R116 WeakPolarHBondContact O-CB 3.39Å; T113-R116 PolarHBondContact O-N 3.08Å; R116-L119 PolarHBondContact O-N 3.47Å; R116-S120 PolarHBondContact O-N 2.97Å |
| 117 | V | 74 | Confident | 69.9 | Low | 49 Ų | 49 | 107.6 Ų | 107.6 | 30% | 0.297 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 175.9 | 170 | 0 | 0 | 0 | 0 | 110.8 | T113 L114 E115 L119 S120 I121 | T113-V117 WeakPolarHBondContact O-CG2 3.25Å; T113-V117 PolarHBondContact O-N 3.38Å; L114-V117 PolarHBondContact O-N 3.4Å; E115-V117 VanDerWaalsContact C-N 3.35Å; E115-V117 PolarHBondContact O-N 3.48Å; V117-L119 VanDerWaalsContact C-N 3.33Å; V117-L119 PolarHBondContact O-N 3.23Å; V117-S120 WeakPolarHBondContact O-CB 3.36Å; V117-S120 PolarHBondContact O-N 3.18Å; V117-I121 HydrophobicContact CG1-CD1 3.76Å; V117-I121 HydrophobicContact CG1-CG1 4.36Å; V117-I121 WeakPolarHBondContact O-CD1 3.47Å; V117-I121 WeakPolarHBondContact O-CG1 3.3Å; V117-I121 PolarHBondContact O-N 3.07Å |
| 118 | R | 71.9 | Confident | 69.5 | Low | 136 Ų | 136 | 108.2 Ų | 108.2 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 174.3 | -77.8 | 175.1 | 175.4 | 162.8 | -2.9 | 112.4 | L114 E115 I121 L122 | L114-R118 WeakPolarHBondContact O-CG 3.44Å; L114-R118 PolarHBondContact O-N 3.35Å; E115-R118 PolarHBondContact O-N 3.24Å; E115-R118 WeakPolarHBondContact OE2-CD 3.42Å; E115-R118 IonicContact OE2-CZ 3.98Å; E115-R118 IonicContact OE2-NH1 2.99Å; E115-R118 PolarHBondContact OE2-NH1 2.72Å; R118-I121 PolarHBondContact O-N 3.45Å; R118-L122 WeakPolarHBondContact O-CB 3.21Å; R118-L122 PolarHBondContact O-N 2.94Å |
| 119 | L | 72.3 | Confident | 68.9 | Low | 97 Ų | 97 | 103.3 Ų | 103.3 | 51% | 0.508 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 175.4 | -71 | 171.3 | 0 | 0 | 0 | 111.3 | E115 R116 V117 I121 L122 E123 | E115-L119 WeakPolarHBondContact O-CG 3.38Å; E115-L119 PolarHBondContact O-N 3.47Å; R116-L119 PolarHBondContact O-N 3.47Å; V117-L119 VanDerWaalsContact C-N 3.33Å; V117-L119 PolarHBondContact O-N 3.23Å; L119-I121 VanDerWaalsContact C-N 3.34Å; L119-I121 PolarHBondContact O-N 3.24Å; L119-L122 WeakPolarHBondContact O-CB 3.38Å; L119-L122 PolarHBondContact O-N 3.09Å; L119-L122 VanDerWaalsContact O-N 3.17Å; L119-E123 WeakPolarHBondContact O-CG 3.4Å; L119-E123 PolarHBondContact O-N 3.08Å |
| 120 | S | 71.8 | Confident | 67.9 | Low | 57 Ų | 57 | 100.3 Ų | 100.3 | 40% | 0.399 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59 | -43.9 | 175 | -172.7 | 0 | 0 | 0 | 0 | 112 | R116 V117 L122 E123 D124 | R116-S120 PolarHBondContact O-N 2.97Å; V117-S120 WeakPolarHBondContact O-CB 3.36Å; V117-S120 PolarHBondContact O-N 3.18Å; S120-L122 VanDerWaalsContact C-N 3.31Å; S120-L122 PolarHBondContact O-N 3.04Å; S120-E123 PolarHBondContact O-N 3.39Å; S120-D124 VanDerWaalsContact O-CG 3.32Å; S120-D124 PolarHBondContact O-N 3.32Å |
| 121 | I | 71 | Confident | 67 | Low | 52 Ų | 52 | 97.9 Ų | 97.9 | 27% | 0.267 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 177.1 | -66.1 | 160.6 | 0 | 0 | 0 | 110.8 | V117 R118 L119 E123 D124 L125 M155 | V117-I121 HydrophobicContact CG1-CD1 3.76Å; V117-I121 HydrophobicContact CG1-CG1 4.36Å; V117-I121 WeakPolarHBondContact O-CD1 3.47Å; V117-I121 WeakPolarHBondContact O-CG1 3.3Å; V117-I121 PolarHBondContact O-N 3.07Å; R118-I121 PolarHBondContact O-N 3.45Å; L119-I121 VanDerWaalsContact C-N 3.34Å; L119-I121 PolarHBondContact O-N 3.24Å; I121-E123 VanDerWaalsContact C-N 3.34Å; I121-D124 PolarHBondContact O-N 3.45Å; I121-L125 HydrophobicContact CG2-CD1 4.33Å; I121-L125 PolarHBondContact O-N 3.29Å; I121-M155 HydrophobicContact CD1-CE 3.28Å; I121-M155 HydrophobicContact CD1-SD 4.39Å; I121-M155 HydrophobicContact CG1-CE 3.48Å; I121-M155 VanDerWaalsContact CG1-CE 3.48Å; I121-M155 HydrophobicContact CG1-SD 3.96Å |
| 122 | L | 69.9 | Low | 66 | Low | 113 Ų | 113 | 101.7 Ų | 101.7 | 59% | 0.592 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.2 | -37.1 | 178.8 | -172.7 | 65.9 | 0 | 0 | 0 | 111.5 | R118 L119 S120 K126 | R118-L122 WeakPolarHBondContact O-CB 3.21Å; R118-L122 PolarHBondContact O-N 2.94Å; L119-L122 WeakPolarHBondContact O-CB 3.38Å; L119-L122 PolarHBondContact O-N 3.09Å; L119-L122 VanDerWaalsContact O-N 3.17Å; S120-L122 VanDerWaalsContact C-N 3.31Å; S120-L122 PolarHBondContact O-N 3.04Å; L122-K126 WeakPolarHBondContact O-CB 3.48Å; L122-K126 PolarHBondContact O-N 3.39Å |
| 123 | E | 71.6 | Confident | 64.7 | Low | 131 Ų | 131 | 105.5 Ų | 105.5 | 61% | 0.612 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.1 | -43.4 | 174.6 | -74.7 | -176.6 | 152.2 | 0 | 0 | 112.2 | L119 S120 I121 K126 Q127 | L119-E123 WeakPolarHBondContact O-CG 3.4Å; L119-E123 PolarHBondContact O-N 3.08Å; S120-E123 PolarHBondContact O-N 3.39Å; I121-E123 VanDerWaalsContact C-N 3.34Å; E123-K126 WeakPolarHBondContact O-CB 3.3Å; E123-K126 PolarHBondContact O-N 2.98Å; E123-K126 VanDerWaalsContact O-N 3.12Å; E123-Q127 PolarHBondContact O-N 3.48Å |
| 124 | D | 69.4 | Low | 63.3 | Low | 81 Ų | 81 | 110.3 Ų | 110.3 | 43% | 0.433 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 175.2 | -72 | -18.1 | 0 | 0 | 0 | 111.1 | S120 I121 K126 Q127 E128 | S120-D124 VanDerWaalsContact O-CG 3.32Å; S120-D124 PolarHBondContact O-N 3.32Å; I121-D124 PolarHBondContact O-N 3.45Å; D124-K126 VanDerWaalsContact C-N 3.25Å; D124-K126 PolarHBondContact O-N 3.33Å; D124-Q127 PolarHBondContact O-N 2.83Å; D124-E128 PolarHBondContact O-N 3.05Å |
| 125 | L | 64.3 | Low | 62 | Low | 111 Ų | 111 | 111.4 Ų | 111.4 | 58% | 0.581 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.4 | -35.7 | 174.5 | -112 | 81.5 | 0 | 0 | 0 | 112.3 | I121 G129 | I121-L125 HydrophobicContact CG2-CD1 4.33Å; I121-L125 PolarHBondContact O-N 3.29Å; L125-G129 PolarHBondContact O-N 3.32Å |
| 126 | K | 64.6 | Low | 60.7 | Low | 153 Ų | 153 | 114.2 Ų | 114.2 | 67% | 0.665 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -73.9 | -33.7 | 180 | -161 | 176 | -178.2 | -176.3 | 0 | 111.6 | L122 E123 D124 G129 N130 | L122-K126 WeakPolarHBondContact O-CB 3.48Å; L122-K126 PolarHBondContact O-N 3.39Å; E123-K126 WeakPolarHBondContact O-CB 3.3Å; E123-K126 PolarHBondContact O-N 2.98Å; E123-K126 VanDerWaalsContact O-N 3.12Å; D124-K126 VanDerWaalsContact C-N 3.25Å; D124-K126 PolarHBondContact O-N 3.33Å; K126-G129 PolarHBondContact O-N 3.23Å; K126-N130 PolarHBondContact O-N 3.35Å |
| 127 | Q | 59.2 | Low | 59.3 | Low | 129 Ų | 129 | 110.8 Ų | 110.8 | 60% | 0.603 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.1 | -42.1 | 171 | -86.5 | 178.3 | -3.5 | 0 | 0 | 112 | E123 D124 G129 N130 L131 | E123-Q127 PolarHBondContact O-N 3.48Å; D124-Q127 PolarHBondContact O-N 2.83Å; Q127-G129 VanDerWaalsContact C-N 3.3Å; Q127-G129 PolarHBondContact O-N 2.82Å; Q127-N130 PolarHBondContact O-N 2.9Å; Q127-N130 VanDerWaalsContact O-N 3.16Å; Q127-L131 PolarHBondContact O-N 3.05Å |
| 128 | E | 56.2 | Low | 57.7 | Low | 120 Ų | 120 | 116.2 Ų | 116.2 | 56% | 0.561 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -60.3 | -39.6 | 172.9 | -74 | -170.1 | 161.1 | 0 | 0 | 112.1 | D124 N130 L131 R132 | D124-E128 PolarHBondContact O-N 3.05Å; E128-N130 VanDerWaalsContact C-N 3.33Å; E128-N130 PolarHBondContact O-N 3.27Å; E128-L131 PolarHBondContact O-N 3.3Å; E128-R132 PolarHBondContact O-N 3.46Å; E128-R132 VanDerWaalsContact O-N 3.15Å |
| 129 | G | 55.3 | Low | 56 | Low | 34 Ų | 34 | 116 Ų | 116 | 35% | 0.351 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.4 | -30.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L125 K126 Q127 | L125-G129 PolarHBondContact O-N 3.32Å; K126-G129 PolarHBondContact O-N 3.23Å; Q127-G129 VanDerWaalsContact C-N 3.3Å; Q127-G129 PolarHBondContact O-N 2.82Å |
| 130 | N | 52.2 | Low | 54.2 | Low | 93 Ų | 93 | 114.6 Ų | 114.6 | 50% | 0.497 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -80.1 | -35.7 | 176.7 | -85.4 | -25.1 | 0 | 0 | 0 | 112.8 | K126 Q127 E128 R132 K133 Q134 | K126-N130 PolarHBondContact O-N 3.35Å; Q127-N130 PolarHBondContact O-N 2.9Å; Q127-N130 VanDerWaalsContact O-N 3.16Å; E128-N130 VanDerWaalsContact C-N 3.33Å; E128-N130 PolarHBondContact O-N 3.27Å; N130-R132 VanDerWaalsContact C-N 3.29Å; N130-R132 PolarHBondContact O-N 3.42Å; N130-K133 PolarHBondContact O-N 3.1Å; N130-Q134 PolarHBondContact O-N 2.88Å |
| 131 | L | 50.3 | Low | 52.9 | Low | 116 Ų | 116 | 120.3 Ų | 120.3 | 61% | 0.607 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63.2 | -37 | 172.7 | -75 | 159.4 | 0 | 0 | 0 | 111.5 | Q127 E128 K133 Q134 S135 | Q127-L131 PolarHBondContact O-N 3.05Å; E128-L131 PolarHBondContact O-N 3.3Å; L131-K133 VanDerWaalsContact C-N 3.3Å; L131-K133 PolarHBondContact O-N 2.84Å; L131-Q134 PolarHBondContact O-N 3.25Å; L131-S135 PolarHBondContact O-N 3.2Å; L131-S135 VanDerWaalsContact O-N 3.14Å |
| 132 | R | 45.4 | Very low | 51.3 | Low | 207 Ų | 207 | 124.7 Ų | 124.7 | 78% | 0.781 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -67 | -27.7 | 176 | -138.1 | 179 | -174.1 | -167.5 | 1.8 | 113.5 | E128 N130 | E128-R132 PolarHBondContact O-N 3.46Å; E128-R132 VanDerWaalsContact O-N 3.15Å; N130-R132 VanDerWaalsContact C-N 3.29Å; N130-R132 PolarHBondContact O-N 3.42Å |
| 133 | K | 45.4 | Very low | 49.9 | Very low | 154 Ų | 154 | 125.2 Ų | 125.2 | 67% | 0.67 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -79.1 | -27.9 | 174.7 | -71.7 | 179.7 | -178.2 | 178.7 | 0 | 113.1 | N130 L131 | N130-K133 PolarHBondContact O-N 3.1Å; L131-K133 VanDerWaalsContact C-N 3.3Å; L131-K133 PolarHBondContact O-N 2.84Å |
| 134 | Q | 44.1 | Very low | 48.5 | Very low | 150 Ų | 150 | 124.4 Ų | 124.4 | 70% | 0.701 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -77.1 | -24.9 | 172.7 | -74.6 | -179 | -16.7 | 0 | 0 | 112.9 | N130 L131 L136 | N130-Q134 PolarHBondContact O-N 2.88Å; L131-Q134 PolarHBondContact O-N 3.25Å; Q134-L136 VanDerWaalsContact C-N 3.29Å; Q134-L136 PolarHBondContact O-N 3.37Å |
| 135 | S | 45.1 | Very low | 47 | Very low | 90 Ų | 90 | 126.8 Ų | 126.8 | 63% | 0.629 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -10.2 | 178.9 | -177 | 0 | 0 | 0 | 0 | 115.1 | L131 | L131-S135 PolarHBondContact O-N 3.2Å; L131-S135 VanDerWaalsContact O-N 3.14Å |
| 136 | L | 44.6 | Very low | 45.7 | Very low | 153 Ų | 153 | 125.2 Ų | 125.2 | 80% | 0.801 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 2.3 | -179.7 | -69.4 | 174.6 | 0 | 0 | 0 | 114.1 | Q134 | Q134-L136 VanDerWaalsContact C-N 3.29Å; Q134-L136 PolarHBondContact O-N 3.37Å |
| 137 | S | 47 | Very low | 44.6 | Very low | 101 Ų | 101 | 126.5 Ų | 126.5 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -106.9 | 13.3 | -177.9 | -63.2 | 0 | 0 | 0 | 0 | 115.3 | ||
| 138 | L | 39 | Very low | 43.7 | Very low | 163 Ų | 163 | 128.4 Ų | 128.4 | 85% | 0.853 | 72% | 0.72 | S | S | * | * | trans | -133.5 | 90 | 171.4 | -70.4 | 171.2 | 0 | 0 | 0 | 110.6 | ||||
| 139 | S | 36.7 | Very low | 42.8 | Very low | 132 Ų | 132 | 127 Ų | 127 | 92% | 0.923 | 73% | 0.73 | S | S | * | * | trans | -64 | 130 | 157.9 | -74.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 140 | G | 34.8 | Very low | 42.1 | Very low | 66 Ų | 66 | 133.9 Ų | 133.9 | 68% | 0.68 | 75% | 0.75 | S | S | * | * | trans | 154 | 85.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 141 | L | 45.1 | Very low | 41.3 | Very low | 178 Ų | 178 | 138.2 Ų | 138.2 | 93% | 0.932 | 77% | 0.768 | S | S | * | * | trans | 16.2 | 98.2 | 152.3 | -59.5 | 171.1 | 0 | 0 | 0 | 118.7 | ||||
| 142 | I | 37.5 | Very low | 40.7 | Very low | 143 Ų | 143 | 144.4 Ų | 144.4 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | trans | -147.2 | 130.2 | 147.9 | -55 | -177 | 0 | 0 | 0 | 108.9 | T144 | I142-T144 HydrophobicContact CG2-CG2 4.44Å; I142-T144 PolarHBondContact O-N 3.29Å | ||
| 143 | P | 40.9 | Very low | 40.4 | Very low | 124 Ų | 124 | 145.3 Ų | 145.3 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | trans | -81.6 | 109.6 | 174.1 | 31.4 | -28.4 | 0 | 0 | 0 | 109.8 | ||||
| 144 | T | 40.7 | Very low | 40.2 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | -97.6 | 101 | 172.7 | 61.2 | 0 | 0 | 0 | 0 | 110.2 | I142 S146 | I142-T144 HydrophobicContact CG2-CG2 4.44Å; I142-T144 PolarHBondContact O-N 3.29Å; T144-S146 PolarHBondContact O-N 3.37Å | ||
| 145 | S | 39.3 | Very low | 39.9 | Very low | 131 Ų | 131 | 141.7 Ų | 141.7 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | trans | -75.4 | 58.6 | 169.8 | 58 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 146 | S | 36.1 | Very low | 39.5 | Very low | 79 Ų | 79 | 143.9 Ų | 143.9 | 55% | 0.552 | 79% | 0.789 | S | S | * | * | trans | -147.4 | 69.5 | 175.7 | 64.3 | 0 | 0 | 0 | 0 | 111.1 | T144 Q148 | T144-S146 PolarHBondContact O-N 3.37Å; S146-Q148 PolarHBondContact O-N 3.11Å | ||
| 147 | L | 41.8 | Very low | 39.1 | Very low | 179 Ų | 179 | 145.4 Ų | 145.4 | 94% | 0.937 | 79% | 0.792 | S | S | * | * | trans | -66.9 | 77.2 | 149.3 | -82.1 | 166.6 | 0 | 0 | 0 | 107.3 | A149 | L147-A149 VanDerWaalsContact C-N 3.32Å; L147-A149 PolarHBondContact O-N 3.05Å | ||
| 148 | Q | 40.2 | Very low | 38.8 | Very low | 169 Ų | 169 | 147.1 Ų | 147.1 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -64.6 | 105.3 | 157.8 | -76.4 | -173.2 | -33.5 | 0 | 0 | 105.6 | S146 F150 | S146-Q148 PolarHBondContact O-N 3.11Å; Q148-F150 PolarHBondContact O-N 3.2Å | ||
| 149 | A | 38.3 | Very low | 38.6 | Very low | 92 Ų | 92 | 144.6 Ų | 144.6 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | -45.1 | 113.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | L147 Q151 | L147-A149 VanDerWaalsContact C-N 3.32Å; L147-A149 PolarHBondContact O-N 3.05Å; A149-Q151 PolarHBondContact O-N 3.4Å | ||
| 150 | F | 39 | Very low | 38.6 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | -47.3 | 106 | 173.2 | -77.2 | -99.3 | 0 | 0 | 0 | 108.2 | Q148 R152 | Q148-F150 PolarHBondContact O-N 3.2Å; F150-R152 VanDerWaalsContact C-N 3.28Å; F150-R152 PolarHBondContact O-N 2.87Å | ||
| 151 | Q | 36.3 | Very low | 38.8 | Very low | 184 Ų | 184 | 147.8 Ų | 147.8 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -58.4 | 101.4 | 162.1 | -79.3 | -177.7 | -80.5 | 0 | 0 | 105.6 | A149 R153 | A149-Q151 PolarHBondContact O-N 3.4Å; Q151-R153 PolarHBondContact O-N 3.5Å | ||
| 152 | R | 38.1 | Very low | 38.7 | Very low | 245 Ų | 245 | 142 Ų | 142 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | trans | -58.6 | 95.6 | 163 | -74.4 | -171.9 | 173.9 | -176.7 | -1.5 | 106.6 | F150 S154 | F150-R152 VanDerWaalsContact C-N 3.28Å; F150-R152 PolarHBondContact O-N 2.87Å; R152-S154 PolarHBondContact O-N 2.86Å | ||
| 153 | R | 38.2 | Very low | 38.8 | Very low | 227 Ų | 227 | 143.4 Ų | 143.4 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | trans | -59.2 | 131.7 | 167.9 | -75.5 | -177.5 | 173.5 | -168.1 | -2.1 | 107 | Q151 M155 | Q151-R153 PolarHBondContact O-N 3.5Å; R153-M155 PolarHBondContact O-N 3.01Å | ||
| 154 | S | 40.4 | Very low | 38.6 | Very low | 107 Ų | 107 | 141 Ų | 141 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | -58.1 | 124.2 | 173.5 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | R152 L156 | R152-S154 PolarHBondContact O-N 2.86Å; S154-L156 PolarHBondContact O-N 2.91Å | ||
| 155 | M | 38.4 | Very low | 38.8 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 59% | 0.591 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -79.5 | 32.9 | -171.7 | -61.7 | -141.1 | -58.6 | 0 | 0 | 114.7 | I121 R153 | I121-M155 HydrophobicContact CD1-CE 3.28Å; I121-M155 HydrophobicContact CD1-SD 4.39Å; I121-M155 HydrophobicContact CG1-CE 3.48Å; I121-M155 VanDerWaalsContact CG1-CE 3.48Å; I121-M155 HydrophobicContact CG1-SD 3.96Å; R153-M155 PolarHBondContact O-N 3.01Å |
| 156 | L | 37.2 | Very low | 38.5 | Very low | 136 Ų | 136 | 144.7 Ų | 144.7 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | trans | -124.1 | 90.2 | 172.8 | -74.5 | 168.5 | 0 | 0 | 0 | 107.6 | S154 | S154-L156 PolarHBondContact O-N 2.91Š| ||
| 157 | H | 36.6 | Very low | 38.8 | Very low | 186 Ų | 186 | 150.1 Ų | 150.1 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | -91.1 | 93.6 | 166.7 | -154.7 | -90 | 0 | 0 | 0 | 107.1 | ||||
| 158 | L | 39.2 | Very low | 38.4 | Very low | 137 Ų | 137 | 146.1 Ų | 146.1 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | trans | -71 | 141.5 | 163.6 | -97 | 82.3 | 0 | 0 | 0 | 108.1 | D160 | L158-D160 PolarHBondContact O-N 3.13Š| ||
| 159 | P | 36.4 | Very low | 38.1 | Very low | 109 Ų | 109 | 144.6 Ų | 144.6 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | trans | -60.3 | 134.5 | 172.4 | 25.2 | -30.9 | 0 | 0 | 0 | 109.6 | S161 | P159-S161 PolarHBondContact O-N 2.89Š| ||
| 160 | D | 36.6 | Very low | 37.7 | Very low | 153 Ų | 153 | 145.1 Ų | 145.1 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -67 | 92.5 | 177.2 | -168.9 | 21.7 | 0 | 0 | 0 | 108.9 | L158 G162 | L158-D160 PolarHBondContact O-N 3.13Å; D160-G162 VanDerWaalsContact C-N 3.26Å; D160-G162 PolarHBondContact O-N 3.08Å | ||
| 161 | S | 38.8 | Very low | 37.6 | Very low | 113 Ų | 113 | 142.5 Ų | 142.5 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -73.1 | 90.5 | 165.5 | -67.7 | 0 | 0 | 0 | 0 | 107.1 | P159 L163 | P159-S161 PolarHBondContact O-N 2.89Å; S161-L163 PolarHBondContact O-N 2.97Å | ||
| 162 | G | 42.6 | Very low | 37.6 | Very low | 55 Ų | 55 | 138.6 Ų | 138.6 | 57% | 0.567 | 79% | 0.788 | S | S | * | * | trans | -57.1 | 123.1 | -173 | 0 | 0 | 0 | 0 | 0 | 113.1 | D160 | D160-G162 VanDerWaalsContact C-N 3.26Å; D160-G162 PolarHBondContact O-N 3.08Å | ||
| 163 | L | 39.1 | Very low | 37.6 | Very low | 173 Ų | 173 | 134 Ų | 134 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | trans | -150.6 | 112.6 | 150.1 | -75.6 | -176.5 | 0 | 0 | 0 | 108.8 | S161 | S161-L163 PolarHBondContact O-N 2.97Š| ||
| 164 | G | 36.5 | Very low | 37.7 | Very low | 75 Ų | 75 | 127.1 Ų | 127.1 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | 85.5 | 103.5 | 151.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | D166 | G164-D166 PolarHBondContact O-N 3.43Š| ||
| 165 | D | 44.7 | Very low | 37.5 | Very low | 173 Ų | 173 | 129.7 Ų | 129.7 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | -44.2 | 121.7 | 155.1 | -92.8 | -38.4 | 0 | 0 | 0 | 110.5 | ||||
| 166 | D | 34.7 | Very low | 37.8 | Very low | 148 Ų | 148 | 128.5 Ų | 128.5 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -129.6 | 104.6 | 160 | -136.3 | 0.9 | 0 | 0 | 0 | 109.7 | G164 S168 | G164-D166 PolarHBondContact O-N 3.43Å; D166-S168 PolarHBondContact O-N 3.14Å | ||
| 167 | H | 41.4 | Very low | 38.2 | Very low | 193 Ų | 193 | 132.6 Ų | 132.6 | 89% | 0.894 | 79% | 0.787 | S | S | * | * | trans | -73.8 | 93.2 | 178.4 | -131 | 33.7 | 0 | 0 | 0 | 108.2 | ||||
| 168 | S | 33.3 | Very low | 38.6 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | trans | -131.9 | 113 | 172.9 | -77.7 | 0 | 0 | 0 | 0 | 110.9 | D166 A170 | D166-S168 PolarHBondContact O-N 3.14Å; S168-A170 PolarHBondContact O-N 2.92Å | ||
| 169 | T | 33.5 | Very low | 38.9 | Very low | 136 Ų | 136 | 129.1 Ų | 129.1 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 125.7 | -178.1 | 47.9 | 0 | 0 | 0 | 0 | 112.7 | T171 | T169-T171 PolarHBondContact O-N 2.95Š|
| 170 | A | 31.6 | Very low | 39.5 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 127.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S168 | S168-A170 PolarHBondContact O-N 2.92Š|
| 171 | T | 36.2 | Very low | 40.4 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 139.7 | 163.5 | 46.4 | 0 | 0 | 0 | 0 | 109.2 | T169 N173 | T169-T171 PolarHBondContact O-N 2.95Å; T171-N173 PolarHBondContact O-N 3.26Å |
| 172 | A | 37 | Very low | 41.1 | Very low | 103 Ų | 103 | 122.2 Ų | 122.2 | 85% | 0.851 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -71.8 | 8.4 | -158.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 173 | N | 36.2 | Very low | 41.3 | Very low | 147 Ų | 147 | 126.8 Ų | 126.8 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | trans | -117.7 | 82.8 | -178.8 | -71.2 | -15.7 | 0 | 0 | 0 | 110.2 | T171 I175 | T171-N173 PolarHBondContact O-N 3.26Å; N173-I175 PolarHBondContact O-N 3.34Å | ||
| 174 | G | 40.8 | Very low | 41.9 | Very low | 83 Ų | 83 | 121.2 Ų | 121.2 | 86% | 0.856 | 70% | 0.697 | S | S | * | * | trans | -69.8 | 49.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 175 | I | 37.7 | Very low | 42.6 | Very low | 161 Ų | 161 | 122 Ų | 122 | 83% | 0.826 | 68% | 0.681 | S | S | * | * | trans | -104.3 | 85.2 | 168 | -57.2 | 174.5 | 0 | 0 | 0 | 108 | N173 | N173-I175 PolarHBondContact O-N 3.34Š| ||
| 176 | N | 44.6 | Very low | 42.6 | Very low | 96 Ų | 96 | 116.5 Ų | 116.5 | 51% | 0.513 | 65% | 0.648 | S | S | . | * | trans | 58 | 73.5 | 138.6 | -140 | -21.5 | 0 | 0 | 0 | 118.9 | R178 A179 | N176-R178 PolarHBondContact O-N 2.8Å; N176-R178 PolarHBondContact OD1-N 3.25Å; N176-A179 HydrophobicContact CB-CB 4.17Å; N176-A179 WeakPolarHBondContact ND2-CB 3.33Å; N176-A179 WeakPolarHBondContact OD1-CB 3.5Å; N176-A179 PolarHBondContact OD1-N 2.87Å | ||
| 177 | R | 44.7 | Very low | 43.2 | Very low | 221 Ų | 221 | 113.1 Ų | 113.1 | 83% | 0.834 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -60.1 | -29.3 | 159.8 | -81.4 | -173.9 | 178.5 | 175.8 | -1.7 | 112.8 | T181 | R177-T181 PolarHBondContact O-N 3.42Å; R177-T181 PolarHBondContact O-OG1 3.04Å |
| 178 | R | 45.8 | Very low | 43.4 | Very low | 210 Ų | 210 | 109 Ų | 109 | 79% | 0.792 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -74.1 | -39 | -176.3 | -74.3 | -175 | -179.1 | 113.3 | -0.6 | 113.7 | N176 T181 L182 | N176-R178 PolarHBondContact O-N 2.8Å; N176-R178 PolarHBondContact OD1-N 3.25Å; R178-T181 WeakPolarHBondContact CA-OG1 3.41Å; R178-T181 PolarHBondContact O-N 3.31Å; R178-T181 PolarHBondContact O-OG1 2.93Å; R178-L182 WeakPolarHBondContact O-CG 3.48Å; R178-L182 PolarHBondContact O-N 3.3Å |
| 179 | A | 44 | Very low | 44.2 | Very low | 41 Ų | 41 | 111.5 Ų | 111.5 | 34% | 0.339 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -71.9 | -33.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | N176 T181 L182 | N176-A179 HydrophobicContact CB-CB 4.17Å; N176-A179 WeakPolarHBondContact ND2-CB 3.33Å; N176-A179 WeakPolarHBondContact OD1-CB 3.5Å; N176-A179 PolarHBondContact OD1-N 2.87Å; A179-T181 VanDerWaalsContact C-N 3.32Å; A179-T181 PolarHBondContact O-N 3.23Å; A179-L182 PolarHBondContact O-N 2.88Å |
| 180 | A | 50.2 | Low | 45.1 | Very low | 56 Ų | 56 | 106.8 Ų | 106.8 | 46% | 0.463 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.1 | -40 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L182 N184 | A180-L182 VanDerWaalsContact C-N 3.33Å; A180-L182 PolarHBondContact O-N 3.13Å; A180-N184 PolarHBondContact O-N 2.96Å; A180-N184 PolarHBondContact O-ND2 3.33Å; A180-N184 PolarHBondContact O-OD1 3.08Å |
| 181 | T | 55.2 | Low | 46.1 | Very low | 90 Ų | 90 | 108.6 Ų | 108.6 | 55% | 0.552 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.4 | -29 | 175.4 | 37.9 | 0 | 0 | 0 | 0 | 114.3 | R177 R178 A179 | R177-T181 PolarHBondContact O-N 3.42Å; R177-T181 PolarHBondContact O-OG1 3.04Å; R178-T181 WeakPolarHBondContact CA-OG1 3.41Å; R178-T181 PolarHBondContact O-N 3.31Å; R178-T181 PolarHBondContact O-OG1 2.93Å; A179-T181 VanDerWaalsContact C-N 3.32Å; A179-T181 PolarHBondContact O-N 3.23Å |
| 182 | L | 53.7 | Low | 46.8 | Very low | 83 Ų | 83 | 111.6 Ų | 111.6 | 44% | 0.435 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -72.1 | -37.5 | -179.1 | -65.5 | 171 | 0 | 0 | 0 | 112.6 | L92 R178 A179 A180 | L92-L182 HydrophobicContact CD1-CD2 3.47Å; L92-L182 VanDerWaalsContact CD1-CD2 3.47Å; R178-L182 WeakPolarHBondContact O-CG 3.48Å; R178-L182 PolarHBondContact O-N 3.3Å; A179-L182 PolarHBondContact O-N 2.88Å; A180-L182 VanDerWaalsContact C-N 3.33Å; A180-L182 PolarHBondContact O-N 3.13Å |
| 183 | Y | 47.1 | Very low | 47.6 | Very low | 151 Ų | 151 | 108.3 Ų | 108.3 | 59% | 0.592 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -84.5 | -13.6 | 177.5 | -95.6 | -90.5 | 0 | 0 | 0 | 113.8 | A88 Q185 F186 T187 | A88-Y183 HydrophobicContact CB-CE2 4.35Å; Y183-Q185 PolarHBondContact O-N 3.36Å; Y183-Q185 VanDerWaalsContact O-N 3.13Å; Y183-F186 HydrophobicContact CD1-CB 4.46Å; Y183-F186 PolarHBondContact O-N 2.95Å; Y183-T187 PolarHBondContact O-N 3.48Å |
| 184 | N | 51.6 | Low | 49.2 | Very low | 57 Ų | 57 | 104.9 Ų | 104.9 | 31% | 0.305 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -21.6 | 178.6 | -80.4 | -16.1 | 0 | 0 | 0 | 113.7 | A180 F186 T187 | A180-N184 PolarHBondContact O-N 2.96Å; A180-N184 PolarHBondContact O-ND2 3.33Å; A180-N184 PolarHBondContact O-OD1 3.08Å; N184-F186 VanDerWaalsContact C-N 3.34Å; N184-T187 VanDerWaalsContact C-OG1 3.31Å; N184-T187 VanDerWaalsContact CA-OG1 3.3Å; N184-T187 WeakPolarHBondContact CA-OG1 3.22Å; N184-T187 PolarHBondContact O-OG1 2.81Å |
| 185 | Q | 51.3 | Low | 50.8 | Low | 91 Ų | 91 | 103.6 Ų | 103.6 | 43% | 0.425 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -26.6 | 172.8 | 177.2 | 175.1 | 29.4 | 0 | 0 | 112.9 | Y183 | Y183-Q185 PolarHBondContact O-N 3.36Å; Y183-Q185 VanDerWaalsContact O-N 3.13Å |
| 186 | F | 44.4 | Very low | 53.3 | Low | 57 Ų | 57 | 98.4 Ų | 98.4 | 25% | 0.25 | 48% | 0.481 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -18.7 | -175.6 | -63.7 | -87.1 | 0 | 0 | 0 | 112.9 | P86 A88 K91 Y183 N184 P188 | P86-F186 VanDerWaalsContact O-CE1 3.24Å; P86-F186 WeakPolarHBondContact O-CE1 3.26Å; A88-F186 HydrophobicContact CB-CD2 3.9Å; A88-F186 HydrophobicContact CB-CE2 3.38Å; A88-F186 HydrophobicContact CB-CZ 4.1Å; K91-F186 HydrophobicContact CB-CZ 3.95Å; K91-F186 HydrophobicContact CD-CE1 4.02Å; K91-F186 HydrophobicContact CD-CE2 4.36Å; K91-F186 HydrophobicContact CD-CZ 3.49Å; K91-F186 VanDerWaalsContact CD-CZ 3.49Å; K91-F186 HydrophobicContact CG-CZ 4.35Å; Y183-F186 HydrophobicContact CD1-CB 4.46Å; Y183-F186 PolarHBondContact O-N 2.95Å; N184-F186 VanDerWaalsContact C-N 3.34Å; F186-P188 WeakPolarHBondContact O-CD 3.26Å |
| 187 | T | 47.8 | Very low | 55.6 | Low | 77 Ų | 77 | 97.2 Ų | 97.2 | 47% | 0.472 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -63.1 | 119.2 | 151.2 | 46.7 | 0 | 0 | 0 | 0 | 105.8 | Y183 N184 K189 | Y183-T187 PolarHBondContact O-N 3.48Å; N184-T187 VanDerWaalsContact C-OG1 3.31Å; N184-T187 VanDerWaalsContact CA-OG1 3.3Å; N184-T187 WeakPolarHBondContact CA-OG1 3.22Å; N184-T187 PolarHBondContact O-OG1 2.81Å; T187-K189 PolarHBondContact O-N 2.82Å |
| 188 | P | 44.9 | Very low | 58 | Low | 106 Ų | 106 | 87.3 Ų | 87.3 | 69% | 0.688 | 44% | 0.439 | S | S | * | . | trans | -51.8 | 111.4 | 174.4 | 20.8 | -30.3 | 0 | 0 | 0 | 106 | F186 N190 | F186-P188 WeakPolarHBondContact O-CD 3.26Å; P188-N190 WeakPolarHBondContact O-CA 3.44Å; P188-N190 PolarHBondContact O-N 3.28Å | ||
| 189 | K | 49.6 | Very low | 60.3 | Low | 149 Ų | 149 | 81.8 Ų | 81.8 | 65% | 0.648 | 42% | 0.424 | S | S | * | . | trans | -54.6 | 109.8 | 160.2 | -83.6 | -172.2 | 176.4 | -178.1 | 0 | 101.7 | T187 E191 | T187-K189 PolarHBondContact O-N 2.82Å; K189-E191 HydrophobicContact CB-CG 4.08Å; K189-E191 PolarHBondContact O-N 2.75Å | ||
| 190 | N | 52.8 | Low | 62.8 | Low | 37 Ų | 37 | 79.8 Ų | 79.8 | 20% | 0.198 | 41% | 0.408 | C | S | . | . | trans | -76 | 43.2 | -161 | -156.9 | 17.2 | 0 | 0 | 0 | 109.8 | P188 E192 N193 R194 | P188-N190 WeakPolarHBondContact O-CA 3.44Å; P188-N190 PolarHBondContact O-N 3.28Å; N190-E192 PolarHBondContact O-N 2.64Å; N190-N193 HydrophobicContact CB-CB 4.42Å; N190-N193 VanDerWaalsContact CG-CB 3.4Å; N190-N193 VanDerWaalsContact CG-ND2 3.29Å; N190-N193 WeakPolarHBondContact ND2-CB 3.48Å; N190-N193 PolarHBondContact ND2-ND2 3.3Å; N190-N193 CarbonylContact O-C 3.52Å; N190-N193 WeakPolarHBondContact O-CA 3.36Å; N190-N193 PolarHBondContact O-N 2.8Å; N190-N193 WeakPolarHBondContact OD1-CB 3.04Å; N190-N193 VanDerWaalsContact OD1-CG 3.25Å; N190-N193 PolarHBondContact OD1-ND2 2.85Å; N190-R194 VanDerWaalsContact O-CG 3.27Å; N190-R194 WeakPolarHBondContact O-CG 3.29Å; N190-R194 PolarHBondContact O-N 3.26Å | ||
| 191 | E | 52 | Low | 65 | Low | 142 Ų | 142 | 81 Ų | 81 | 66% | 0.664 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -36.1 | -171.9 | -65.3 | -167.7 | 176.2 | 0 | 0 | 109.9 | K189 N193 R194 | K189-E191 HydrophobicContact CB-CG 4.08Å; K189-E191 PolarHBondContact O-N 2.75Å; E191-N193 PolarHBondContact O-N 3.15Å; E191-R194 PolarHBondContact O-N 3.49Å |
| 192 | E | 51.8 | Low | 66.8 | Low | 185 Ų | 185 | 77.9 Ų | 77.9 | 86% | 0.864 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -24.8 | 175.3 | -153.7 | 166.2 | -145.3 | 0 | 0 | 113.3 | N190 | N190-E192 PolarHBondContact O-N 2.64Š|
| 193 | N | 53.9 | Low | 68.7 | Low | 34 Ų | 34 | 76.1 Ų | 76.1 | 18% | 0.182 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -9.8 | 177.7 | -64.8 | -38.1 | 0 | 0 | 0 | 113.1 | N190 E191 S195 D218 T220 | N190-N193 HydrophobicContact CB-CB 4.42Å; N190-N193 VanDerWaalsContact CG-CB 3.4Å; N190-N193 VanDerWaalsContact CG-ND2 3.29Å; N190-N193 WeakPolarHBondContact ND2-CB 3.48Å; N190-N193 PolarHBondContact ND2-ND2 3.3Å; N190-N193 CarbonylContact O-C 3.52Å; N190-N193 WeakPolarHBondContact O-CA 3.36Å; N190-N193 PolarHBondContact O-N 2.8Å; N190-N193 WeakPolarHBondContact OD1-CB 3.04Å; N190-N193 VanDerWaalsContact OD1-CG 3.25Å; N190-N193 PolarHBondContact OD1-ND2 2.85Å; E191-N193 PolarHBondContact O-N 3.15Å; N193-S195 PolarHBondContact O-N 3.47Å; N193-D218 VanDerWaalsContact O-CA 3.3Å; N193-D218 WeakPolarHBondContact O-CA 3.19Å; N193-T220 WeakPolarHBondContact CB-OG1 3.45Å; N193-T220 PolarHBondContact ND2-OG1 3.22Å; N193-T220 WeakPolarHBondContact OD1-CB 3.43Å; N193-T220 WeakPolarHBondContact OD1-CG2 3.46Å; N193-T220 PolarHBondContact OD1-OG1 3.35Å |
| 194 | R | 68.3 | Low | 70.7 | Confident | 75 Ų | 75 | 70.3 Ų | 70.3 | 28% | 0.283 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 69.3 | 177.7 | -70.3 | 173.6 | 71.9 | 160.5 | -5.6 | 109.1 | N190 E191 Y196 E197 V216 | N190-R194 VanDerWaalsContact O-CG 3.27Å; N190-R194 WeakPolarHBondContact O-CG 3.29Å; N190-R194 PolarHBondContact O-N 3.26Å; E191-R194 PolarHBondContact O-N 3.49Å; R194-Y196 PolarHBondContact O-N 3.2Å; R194-E197 IonicContact CZ-OE2 3.96Å; R194-E197 IonicContact NE-OE2 2.8Å; R194-E197 PolarHBondContact NE-OE2 3.37Å; R194-E197 IonicContact NH2-OE1 2.64Å; R194-E197 PolarHBondContact NH2-OE1 2.78Å; R194-E197 IonicContact NH2-OE2 2.9Å; R194-E197 PolarHBondContact NH2-OE2 3.44Å; R194-V216 HydrophobicContact CB-CG1 4.14Å; R194-V216 HydrophobicContact CG-CG1 3.61Å |
| 195 | S | 74.8 | Confident | 72.3 | Confident | 57 Ų | 57 | 70.2 Ų | 70.2 | 40% | 0.399 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | -19.3 | -172.5 | -45.4 | 0 | 0 | 0 | 0 | 113.5 | N193 L217 V219 K291 | N193-S195 PolarHBondContact O-N 3.47Å; S195-L217 PolarHBondContact N-O 3.08Å; S195-V219 VanDerWaalsContact CB-CG2 3.41Å; S195-V219 WeakPolarHBondContact OG-CG2 3.27Å; S195-K291 PolarHBondContact O-NZ 2.66Å; S195-K291 VanDerWaalsContact O-NZ 3.08Å |
| 196 | Y | 90.9 | Very high | 73.8 | Confident | 52 Ų | 52 | 73.4 Ų | 73.4 | 20% | 0.204 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 146.9 | 168.8 | -162.3 | -135.7 | 0 | 0 | 0 | 113.1 | R194 L217 V287 W288 K291 | R194-Y196 PolarHBondContact O-N 3.2Å; Y196-L217 PolarHBondContact O-N 3.26Å; Y196-V287 HydrophobicContact CE1-CG1 3.92Å; Y196-V287 HydrophobicContact CE2-CG1 4.25Å; Y196-W288 AromaticContact CD1-CD2 3.65Å; Y196-W288 HydrophobicContact CD1-CD2 3.65Å; Y196-W288 AromaticContact CD1-CE2 3.71Å; Y196-W288 AromaticContact CD1-CE3 3.62Å; Y196-W288 HydrophobicContact CD1-CE3 3.62Å; Y196-W288 HydrophobicContact CD1-CG 4.34Å; Y196-W288 AromaticContact CD1-CH2 3.8Å; Y196-W288 HydrophobicContact CD1-CH2 3.8Å; Y196-W288 AromaticContact CD1-CZ2 3.81Å; Y196-W288 HydrophobicContact CD1-CZ2 3.81Å; Y196-W288 AromaticContact CD1-CZ3 3.7Å; Y196-W288 HydrophobicContact CD1-CZ3 3.7Å; Y196-W288 AromaticContact CE1-CD1 3.77Å; Y196-W288 AromaticContact CE1-CD2 3.43Å; Y196-W288 HydrophobicContact CE1-CD2 3.43Å; Y196-W288 VanDerWaalsContact CE1-CD2 3.43Å; Y196-W288 AromaticContact CE1-CE2 3.35Å; Y196-W288 AromaticContact CE1-CE3 3.93Å; Y196-W288 HydrophobicContact CE1-CE3 3.93Å; Y196-W288 AromaticContact CE1-CG 3.73Å; Y196-W288 HydrophobicContact CE1-CG 3.73Å; Y196-W288 HydrophobicContact CE1-CH2 4.27Å; Y196-W288 AromaticContact CE1-CZ2 3.82Å; Y196-W288 HydrophobicContact CE1-CZ2 3.82Å; Y196-W288 HydrophobicContact CE1-CZ3 4.32Å; Y196-W288 AromaticContact CE1-NE1 3.55Å; Y196-K291 HydrophobicContact CD1-CD 3.67Å; Y196-K291 HydrophobicContact CD2-CD 4.03Å; Y196-K291 HydrophobicContact CE1-CD 4.33Å; Y196-K291 HydrophobicContact CG-CD 3.48Å; Y196-K291 VanDerWaalsContact CG-CD 3.48Å |
| 197 | E | 93.4 | Very high | 75.9 | Confident | 71 Ų | 71 | 77.8 Ų | 77.8 | 33% | 0.332 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 160.2 | 178.9 | 61.7 | -171.9 | -136.5 | 0 | 0 | 112.6 | R194 W214 F215 V216 | R194-E197 IonicContact CZ-OE2 3.96Å; R194-E197 IonicContact NE-OE2 2.8Å; R194-E197 PolarHBondContact NE-OE2 3.37Å; R194-E197 IonicContact NH2-OE1 2.64Å; R194-E197 PolarHBondContact NH2-OE1 2.78Å; R194-E197 IonicContact NH2-OE2 2.9Å; R194-E197 PolarHBondContact NH2-OE2 3.44Å; E197-W214 HydrophobicContact CB-CZ2 4.02Å; E197-W214 HydrophobicContact CG-CZ2 3.74Å; E197-W214 WeakPolarHBondContact OE1-CZ2 3.23Å; E197-F215 CarbonylContact C-O 3.51Å; E197-F215 WeakPolarHBondContact CA-O 3.5Å; E197-F215 WeakPolarHBondContact CB-O 3.27Å; E197-V216 HydrophobicContact CB-CG2 4.09Å |
| 198 | G | 94.1 | Very high | 77.8 | Confident | 12 Ų | 12 | 79.4 Ų | 79.4 | 12% | 0.124 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.4 | 179 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F215 | G198-F215 PolarHBondContact N-O 2.69Å; G198-F215 PolarHBondContact O-N 2.84Å |
| 199 | I | 95.1 | Very high | 79.9 | Confident | 94 Ų | 94 | 76.6 Ų | 76.6 | 48% | 0.482 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 127.9 | 179.5 | -60.6 | 175.9 | 0 | 0 | 0 | 109.6 | Y201 P212 R213 W214 | I199-Y201 HydrophobicContact CG2-CE2 4.49Å; I199-P212 HydrophobicContact CG2-CB 3.88Å; I199-R213 WeakPolarHBondContact CA-O 3.47Å; I199-W214 HydrophobicContact CG1-CE3 3.77Å; I199-W214 HydrophobicContact CG1-CZ3 4.07Å |
| 200 | L | 96.2 | Very high | 81.9 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 139.5 | 162.3 | -65.7 | 171.6 | 0 | 0 | 0 | 109.6 | R213 F215 F266 F277 A279 W288 | L200-R213 PolarHBondContact N-O 2.85Å; L200-R213 PolarHBondContact O-N 2.91Å; L200-F215 HydrophobicContact CB-CD2 3.56Å; L200-F215 HydrophobicContact CB-CE2 3.83Å; L200-F215 HydrophobicContact CB-CG 4.32Å; L200-F215 HydrophobicContact CD1-CB 4.16Å; L200-F215 HydrophobicContact CD1-CD1 4.48Å; L200-F215 HydrophobicContact CD1-CD2 4.06Å; L200-F215 HydrophobicContact CD1-CG 3.99Å; L200-F215 HydrophobicContact CG-CD2 4.15Å; L200-F215 HydrophobicContact CG-CG 4.46Å; L200-F266 HydrophobicContact CD1-CZ 4.03Å; L200-F266 HydrophobicContact CD2-CE1 4.07Å; L200-F266 HydrophobicContact CD2-CZ 4.26Å; L200-F277 HydrophobicContact CB-CD1 4.46Å; L200-A279 HydrophobicContact CD2-CB 3.94Å; L200-W288 HydrophobicContact CD1-CD2 3.83Å; L200-W288 HydrophobicContact CD1-CE3 4.08Å; L200-W288 HydrophobicContact CD1-CG 4.26Å; L200-W288 HydrophobicContact CD1-CH2 4.48Å; L200-W288 HydrophobicContact CD1-CZ2 4.25Å; L200-W288 HydrophobicContact CD1-CZ3 4.4Å; L200-W288 HydrophobicContact CD2-CD2 4.27Å; L200-W288 HydrophobicContact CD2-CG 4.03Å; L200-W288 HydrophobicContact CG-CD2 4.27Å; L200-W288 HydrophobicContact CG-CZ2 4.25Å |
| 201 | Y | 95.1 | Very high | 83.8 | Confident | 80 Ų | 80 | 75.5 Ų | 75.5 | 31% | 0.314 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 123.9 | 166.4 | -69.1 | -95.8 | 0 | 0 | 0 | 108.4 | I199 W210 K211 P212 F277 C278 | I199-Y201 HydrophobicContact CG2-CE2 4.49Å; Y201-W210 WeakPolarHBondContact O-CZ3 3.46Å; Y201-K211 WeakPolarHBondContact CA-O 3.35Å; Y201-P212 HydrophobicContact CD1-CB 4.07Å; Y201-P212 HydrophobicContact CE1-CB 3.75Å; Y201-P212 HydrophobicContact CE1-CG 4.08Å; Y201-F277 CarbonylContact O-C 3.54Å; Y201-F277 VanDerWaalsContact O-CA 3.29Å; Y201-F277 WeakPolarHBondContact O-CA 3.06Å; Y201-C278 PolarHBondContact N-O 3.4Å; Y201-C278 PolarHBondContact O-N 3.18Å |
| 202 | K | 93.8 | Very high | 85.9 | Confident | 25 Ų | 25 | 71.9 Ų | 71.9 | 11% | 0.109 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 137.1 | 177.1 | 175.2 | 179.6 | 166.1 | -175.2 | 0 | 110.1 | W210 K211 F215 Y226 F277 | K202-W210 WeakPolarHBondContact O-CA 3.32Å; K202-K211 PolarHBondContact N-O 2.91Å; K202-K211 PolarHBondContact O-N 3.45Å; K202-F215 HydrophobicContact CB-CE2 4.39Å; K202-F215 HydrophobicContact CB-CZ 4.31Å; K202-F215 HydrophobicContact CD-CZ 4.08Å; K202-Y226 PolarHBondContact NZ-OH 2.8Å; K202-F277 HydrophobicContact CB-CD1 3.94Å; K202-F277 HydrophobicContact CB-CE1 3.77Å; K202-F277 HydrophobicContact CD-CE1 3.94Å; K202-F277 HydrophobicContact CG-CD1 4.23Å; K202-F277 HydrophobicContact CG-CE1 3.73Å |
| 203 | R | 93.1 | Very high | 88 | Confident | 46 Ų | 46 | 64.9 Ų | 64.9 | 17% | 0.174 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 128.2 | 171.2 | -161.7 | 177.1 | -178.8 | -166.7 | 1.7 | 111.7 | K208 W210 T253 N276 | R203-K208 WeakPolarHBondContact CG-O 3.48Å; R203-K208 PolarHBondContact NE-O 3.11Å; R203-W210 HydrophobicContact CB-CD2 4.05Å; R203-W210 HydrophobicContact CB-CE3 4.21Å; R203-W210 HydrophobicContact CB-CH2 4.26Å; R203-W210 HydrophobicContact CB-CZ2 4.07Å; R203-W210 HydrophobicContact CB-CZ3 4.31Å; R203-W210 HydrophobicContact CG-CD2 4.35Å; R203-W210 HydrophobicContact CG-CZ2 4.32Å; R203-T253 PolarHBondContact NH1-OG1 3.33Å; R203-N276 HydrophobicContact CB-CB 3.98Å; R203-N276 WeakPolarHBondContact CD-OD1 3.4Å; R203-N276 PolarHBondContact N-O 3.45Å; R203-N276 VanDerWaalsContact N-O 3.09Å; R203-N276 PolarHBondContact NH1-OD1 3.06Å |
| 204 | G | 90.1 | Very high | 89.9 | Confident | 29 Ų | 29 | 66.2 Ų | 66.2 | 30% | 0.299 | 34% | 0.341 | S | S | . | . | trans | -64.4 | 143.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K208 A209 | G204-K208 VanDerWaalsContact O-CA 3.27Å; G204-K208 WeakPolarHBondContact O-CA 3.34Å; G204-K208 WeakPolarHBondContact O-CD 3.15Å; G204-K208 PolarHBondContact O-N 2.97Å; G204-A209 PolarHBondContact N-O 2.71Å | ||
| 205 | A | 84.4 | Confident | 91.3 | Very high | 56 Ų | 56 | 62.7 Ų | 62.7 | 46% | 0.463 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -45.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K208 | A205-K208 WeakPolarHBondContact O-CE 3.42Å; A205-K208 PolarHBondContact O-NZ 3.34Å |
| 206 | L | 83.9 | Confident | 92.2 | Very high | 157 Ų | 157 | 60 Ų | 60 | 82% | 0.822 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -61.3 | -175.5 | -174.8 | 66.5 | 0 | 0 | 0 | 111.9 | K208 | L206-K208 VanDerWaalsContact C-N 3.27Å; L206-K208 PolarHBondContact O-N 2.77Å |
| 207 | L | 86.8 | Confident | 92.4 | Very high | 149 Ų | 149 | 57.6 Ų | 57.6 | 78% | 0.78 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -2.3 | -174.6 | -61 | 176.9 | 0 | 0 | 0 | 114 | A209 | L207-A209 PolarHBondContact O-N 3.06Š|
| 208 | K | 88.2 | Confident | 92.2 | Very high | 111 Ų | 111 | 54.2 Ų | 54.2 | 48% | 0.483 | 28% | 0.284 | S | S | . | . | trans | 50.3 | 14.3 | -177 | -58.4 | -53.6 | -171.6 | -165.8 | 0 | 115.8 | R203 G204 A205 L206 | R203-K208 WeakPolarHBondContact CG-O 3.48Å; R203-K208 PolarHBondContact NE-O 3.11Å; G204-K208 VanDerWaalsContact O-CA 3.27Å; G204-K208 WeakPolarHBondContact O-CA 3.34Å; G204-K208 WeakPolarHBondContact O-CD 3.15Å; G204-K208 PolarHBondContact O-N 2.97Å; A205-K208 WeakPolarHBondContact O-CE 3.42Å; A205-K208 PolarHBondContact O-NZ 3.34Å; L206-K208 VanDerWaalsContact C-N 3.27Å; L206-K208 PolarHBondContact O-N 2.77Å | ||
| 209 | A | 89.2 | Confident | 91.9 | Very high | 48 Ų | 48 | 55.7 Ų | 55.7 | 40% | 0.397 | 29% | 0.29 | S | S | . | . | trans | -76.4 | 141.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | G204 L207 | G204-A209 PolarHBondContact N-O 2.71Å; L207-A209 PolarHBondContact O-N 3.06Å | ||
| 210 | W | 92.4 | Very high | 91.5 | Very high | 33 Ų | 33 | 55.2 Ų | 55.2 | 13% | 0.125 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 130.5 | 174.6 | -68.4 | 83.4 | 0 | 0 | 0 | 109.9 | Y201 K202 R203 T253 G255 A256 F265 N276 C278 | Y201-W210 WeakPolarHBondContact O-CZ3 3.46Å; K202-W210 WeakPolarHBondContact O-CA 3.32Å; R203-W210 HydrophobicContact CB-CD2 4.05Å; R203-W210 HydrophobicContact CB-CE3 4.21Å; R203-W210 HydrophobicContact CB-CH2 4.26Å; R203-W210 HydrophobicContact CB-CZ2 4.07Å; R203-W210 HydrophobicContact CB-CZ3 4.31Å; R203-W210 HydrophobicContact CG-CD2 4.35Å; R203-W210 HydrophobicContact CG-CZ2 4.32Å; W210-T253 WeakPolarHBondContact CZ2-OG1 3.37Å; W210-G255 VanDerWaalsContact CD1-C 3.48Å; W210-A256 HydrophobicContact CZ2-CB 4.13Å; W210-F265 AromaticContact CH2-CD1 3.96Å; W210-F265 HydrophobicContact CH2-CD1 3.96Å; W210-F265 HydrophobicContact CH2-CE1 4.1Å; W210-F265 HydrophobicContact CZ2-CD1 4.48Å; W210-F265 HydrophobicContact CZ2-CE1 4.35Å; W210-N276 HydrophobicContact CH2-CB 3.87Å; W210-N276 HydrophobicContact CZ2-CB 4.35Å; W210-C278 HydrophobicContact CE3-CB 4.26Å; W210-C278 HydrophobicContact CH2-CB 4.26Å; W210-C278 HydrophobicContact CZ3-CB 3.66Å |
| 211 | K | 92.9 | Very high | 91.1 | Very high | 129 Ų | 129 | 60.9 Ų | 60.9 | 56% | 0.561 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 136.7 | 174.7 | -70.5 | -165.8 | 173.6 | -168.3 | 0 | 110.7 | Y201 K202 | Y201-K211 WeakPolarHBondContact CA-O 3.35Å; K202-K211 PolarHBondContact N-O 2.91Å; K202-K211 PolarHBondContact O-N 3.45Å |
| 212 | P | 94.6 | Very high | 90.9 | Very high | 67 Ų | 67 | 60 Ų | 60 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 140.2 | 170.1 | 30.1 | -33.2 | 0 | 0 | 0 | 109 | I199 Y201 | I199-P212 HydrophobicContact CG2-CB 3.88Å; Y201-P212 HydrophobicContact CD1-CB 4.07Å; Y201-P212 HydrophobicContact CE1-CB 3.75Å; Y201-P212 HydrophobicContact CE1-CG 4.08Å |
| 213 | R | 96.1 | Very high | 90.9 | Very high | 37 Ų | 37 | 60.9 Ų | 60.9 | 14% | 0.14 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 144 | 173.7 | -69.9 | -67.4 | 177.7 | 154 | -14.6 | 108.7 | I199 L200 F215 Y226 Y227 D228 | I199-R213 WeakPolarHBondContact CA-O 3.47Å; L200-R213 PolarHBondContact N-O 2.85Å; L200-R213 PolarHBondContact O-N 2.91Å; R213-F215 HydrophobicContact CB-CD2 4Å; R213-F215 HydrophobicContact CB-CE2 3.6Å; R213-F215 HydrophobicContact CB-CZ 4.44Å; R213-F215 WeakPolarHBondContact O-CD2 3.43Å; R213-F215 PolarHBondContact O-N 2.7Å; R213-Y226 HydrophobicContact CG-CD2 4.28Å; R213-Y227 WeakPolarHBondContact CD-O 3.35Å; R213-D228 IonicContact CZ-OD1 2.7Å; R213-D228 IonicContact CZ-OD2 3.79Å; R213-D228 IonicContact NE-OD1 2.64Å; R213-D228 IonicContact NH1-OD1 3.02Å; R213-D228 PolarHBondContact NH1-OD1 2.67Å; R213-D228 IonicContact NH1-OD2 3.2Å; R213-D228 PolarHBondContact NH1-OD2 3.1Å; R213-D228 IonicContact NH2-OD1 2.69Å; R213-D228 PolarHBondContact NH2-OD1 2.67Å; R213-D228 IonicContact NH2-OD2 2.66Å |
| 214 | W | 95.5 | Very high | 91 | Very high | 63 Ų | 63 | 58.7 Ų | 58.7 | 24% | 0.239 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 117.3 | 170.7 | -172.2 | -96.1 | 0 | 0 | 0 | 108.6 | E197 I199 Y226 Y227 G230 | E197-W214 HydrophobicContact CB-CZ2 4.02Å; E197-W214 HydrophobicContact CG-CZ2 3.74Å; E197-W214 WeakPolarHBondContact OE1-CZ2 3.23Å; I199-W214 HydrophobicContact CG1-CE3 3.77Å; I199-W214 HydrophobicContact CG1-CZ3 4.07Å; W214-Y226 CarbonylContact O-C 3.43Å; W214-Y226 WeakPolarHBondContact O-CA 3.23Å; W214-Y227 PolarHBondContact N-O 2.64Å; W214-Y227 PolarHBondContact O-N 2.98Å; W214-G230 VanDerWaalsContact CG-CA 3.47Å |
| 215 | F | 96.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 144.7 | 177.7 | -82.9 | -96.5 | 0 | 0 | 0 | 110.6 | E197 G198 L200 K202 R213 L224 R225 Y226 F277 W288 | E197-F215 CarbonylContact C-O 3.51Å; E197-F215 WeakPolarHBondContact CA-O 3.5Å; E197-F215 WeakPolarHBondContact CB-O 3.27Å; G198-F215 PolarHBondContact N-O 2.69Å; G198-F215 PolarHBondContact O-N 2.84Å; L200-F215 HydrophobicContact CB-CD2 3.56Å; L200-F215 HydrophobicContact CB-CE2 3.83Å; L200-F215 HydrophobicContact CB-CG 4.32Å; L200-F215 HydrophobicContact CD1-CB 4.16Å; L200-F215 HydrophobicContact CD1-CD1 4.48Å; L200-F215 HydrophobicContact CD1-CD2 4.06Å; L200-F215 HydrophobicContact CD1-CG 3.99Å; L200-F215 HydrophobicContact CG-CD2 4.15Å; L200-F215 HydrophobicContact CG-CG 4.46Å; K202-F215 HydrophobicContact CB-CE2 4.39Å; K202-F215 HydrophobicContact CB-CZ 4.31Å; K202-F215 HydrophobicContact CD-CZ 4.08Å; R213-F215 HydrophobicContact CB-CD2 4Å; R213-F215 HydrophobicContact CB-CE2 3.6Å; R213-F215 HydrophobicContact CB-CZ 4.44Å; R213-F215 WeakPolarHBondContact O-CD2 3.43Å; R213-F215 PolarHBondContact O-N 2.7Å; F215-L224 HydrophobicContact CB-CD1 4.33Å; F215-L224 HydrophobicContact CD1-CD1 3.86Å; F215-L224 HydrophobicContact CD1-CD2 4.16Å; F215-L224 HydrophobicContact CD1-CG 3.77Å; F215-L224 HydrophobicContact CE1-CD2 4.39Å; F215-L224 HydrophobicContact CE1-CG 4.26Å; F215-R225 CarbonylContact C-O 3.53Å; F215-R225 VanDerWaalsContact CA-O 3.32Å; F215-R225 WeakPolarHBondContact CA-O 3.43Å; F215-Y226 AromaticContact CE1-CD1 3.84Å; F215-Y226 HydrophobicContact CE1-CD1 3.84Å; F215-Y226 AromaticContact CE1-CG 3.98Å; F215-Y226 HydrophobicContact CE1-CG 3.98Å; F215-Y226 HydrophobicContact CZ-CD1 4.08Å; F215-Y226 AromaticContact CZ-CG 3.94Å; F215-Y226 HydrophobicContact CZ-CG 3.94Å; F215-F277 AromaticContact CE1-CE1 3.9Å; F215-F277 HydrophobicContact CE1-CE1 3.9Å; F215-F277 HydrophobicContact CE1-CZ 4.07Å; F215-F277 HydrophobicContact CE2-CE1 4.12Å; F215-F277 HydrophobicContact CZ-CD1 4.32Å; F215-F277 AromaticContact CZ-CE1 3.46Å; F215-F277 HydrophobicContact CZ-CE1 3.46Å; F215-F277 VanDerWaalsContact CZ-CE1 3.46Å; F215-F277 HydrophobicContact CZ-CZ 4.08Å; F215-W288 HydrophobicContact CB-CH2 3.77Å; F215-W288 HydrophobicContact CB-CZ2 4.27Å; F215-W288 HydrophobicContact CB-CZ3 4.37Å |
| 216 | V | 94.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 118.8 | 178 | 178.4 | 0 | 0 | 0 | 0 | 107.6 | R194 E197 R225 Y227 | R194-V216 HydrophobicContact CB-CG1 4.14Å; R194-V216 HydrophobicContact CG-CG1 3.61Å; E197-V216 HydrophobicContact CB-CG2 4.09Å; V216-R225 PolarHBondContact N-O 2.96Å; V216-R225 PolarHBondContact O-N 2.95Å; V216-Y227 HydrophobicContact CB-CE2 4.11Å; V216-Y227 HydrophobicContact CG2-CD2 4.14Å; V216-Y227 HydrophobicContact CG2-CE2 3.74Å |
| 217 | L | 94.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 110.4 | 171.9 | -176.7 | 64.2 | 0 | 0 | 0 | 108.6 | S195 Y196 V219 L224 L241 W288 K291 I292 | S195-L217 PolarHBondContact N-O 3.08Å; Y196-L217 PolarHBondContact O-N 3.26Å; L217-V219 HydrophobicContact CG-CG2 4.37Å; L217-L224 HydrophobicContact CB-CD1 4.33Å; L217-L224 HydrophobicContact CD1-CD1 4.31Å; L217-L241 HydrophobicContact CD1-CD1 3.68Å; L217-W288 HydrophobicContact CB-CZ3 4.34Å; L217-K291 HydrophobicContact CD2-CB 3.81Å; L217-I292 HydrophobicContact CD1-CG1 4.33Å |
| 218 | D | 90.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 102.6 | 174 | -168.5 | -36 | 0 | 0 | 0 | 109.3 | N193 T220 K221 H222 Q223 R225 | N193-D218 VanDerWaalsContact O-CA 3.3Å; N193-D218 WeakPolarHBondContact O-CA 3.19Å; D218-T220 PolarHBondContact OD1-N 3.43Å; D218-T220 PolarHBondContact OD1-OG1 2.75Å; D218-T220 VanDerWaalsContact OD1-OG1 3.08Å; D218-K221 HydrophobicContact CB-CB 4.37Å; D218-K221 PolarHBondContact OD1-N 3.34Å; D218-H222 WeakPolarHBondContact O-CA 3.39Å; D218-H222 PolarHBondContact O-N 2.85Å; D218-H222 VanDerWaalsContact O-N 3.11Å; D218-Q223 WeakPolarHBondContact CB-O 3.32Å; D218-Q223 PolarHBondContact N-O 3.04Å; D218-Q223 PolarHBondContact O-N 3.25Å; D218-R225 IonicContact OD2-CZ 2.87Å; D218-R225 IonicContact OD2-NH1 3.85Å; D218-R225 PolarHBondContact OD2-NH1 3.42Å; D218-R225 IonicContact OD2-NH2 2.68Å; D218-R225 PolarHBondContact OD2-NH2 2.64Å |
| 219 | V | 87.8 | Confident | 92.4 | Very high | 44 Ų | 44 | 46.3 Ų | 46.3 | 27% | 0.267 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -40.9 | -176.2 | 178.9 | 0 | 0 | 0 | 0 | 110.5 | S195 L217 K221 H222 | S195-V219 VanDerWaalsContact CB-CG2 3.41Å; S195-V219 WeakPolarHBondContact OG-CG2 3.27Å; L217-V219 HydrophobicContact CG-CG2 4.37Å; V219-K221 PolarHBondContact O-N 2.81Å; V219-H222 PolarHBondContact O-CD2 2.84Å; V219-H222 PolarHBondContact O-N 2.88Å; V219-H222 VanDerWaalsContact O-N 3.15Å |
| 220 | T | 85.8 | Confident | 92 | Very high | 84 Ų | 84 | 45.7 Ų | 45.7 | 52% | 0.515 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -30.7 | -175.7 | 57 | 0 | 0 | 0 | 0 | 113.2 | N193 D218 | N193-T220 WeakPolarHBondContact CB-OG1 3.45Å; N193-T220 PolarHBondContact ND2-OG1 3.22Å; N193-T220 WeakPolarHBondContact OD1-CB 3.43Å; N193-T220 WeakPolarHBondContact OD1-CG2 3.46Å; N193-T220 PolarHBondContact OD1-OG1 3.35Å; D218-T220 PolarHBondContact OD1-N 3.43Å; D218-T220 PolarHBondContact OD1-OG1 2.75Å; D218-T220 VanDerWaalsContact OD1-OG1 3.08Å |
| 221 | K | 87.1 | Confident | 91.4 | Very high | 118 Ų | 118 | 52.9 Ų | 52.9 | 51% | 0.513 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -1.3 | 172.3 | -61 | -167.9 | -170.2 | 174 | 0 | 113.6 | D218 V219 Q223 | D218-K221 HydrophobicContact CB-CB 4.37Å; D218-K221 PolarHBondContact OD1-N 3.34Å; V219-K221 PolarHBondContact O-N 2.81Å; K221-Q223 VanDerWaalsContact C-N 3.28Å; K221-Q223 HydrophobicContact CB-CB 4.47Å; K221-Q223 HydrophobicContact CB-CG 4.47Å; K221-Q223 WeakPolarHBondContact O-CG 3.42Å; K221-Q223 PolarHBondContact O-N 2.8Å |
| 222 | H | 91.7 | Very high | 90.8 | Very high | 63 Ų | 63 | 49.7 Ų | 49.7 | 29% | 0.292 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 48.4 | -172.3 | -74.3 | -93.2 | 0 | 0 | 0 | 112.7 | D218 V219 L241 C295 | D218-H222 WeakPolarHBondContact O-CA 3.39Å; D218-H222 PolarHBondContact O-N 2.85Å; D218-H222 VanDerWaalsContact O-N 3.11Å; V219-H222 PolarHBondContact O-CD2 2.84Å; V219-H222 PolarHBondContact O-N 2.88Å; V219-H222 VanDerWaalsContact O-N 3.15Å; H222-L241 HydrophobicContact CB-CB 4.28Å; H222-L241 WeakPolarHBondContact O-CB 3.38Å; H222-L241 WeakPolarHBondContact O-CG 3.43Å; H222-L241 PolarHBondContact O-N 2.86Å; H222-C295 PolarHBondContact ND1-O 2.87Å |
| 223 | Q | 94.3 | Very high | 90 | Very high | 42 Ų | 42 | 50.8 Ų | 50.8 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 133.7 | -176.4 | -77.2 | 175.8 | -0.9 | 0 | 0 | 112.4 | D218 K221 R225 I239 | D218-Q223 WeakPolarHBondContact CB-O 3.32Å; D218-Q223 PolarHBondContact N-O 3.04Å; D218-Q223 PolarHBondContact O-N 3.25Å; K221-Q223 VanDerWaalsContact C-N 3.28Å; K221-Q223 HydrophobicContact CB-CB 4.47Å; K221-Q223 HydrophobicContact CB-CG 4.47Å; K221-Q223 WeakPolarHBondContact O-CG 3.42Å; K221-Q223 PolarHBondContact O-N 2.8Å; Q223-R225 HydrophobicContact CB-CG 4.16Å; Q223-I239 WeakPolarHBondContact CA-O 2.89Å |
| 224 | L | 95.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 100.1 | 165.7 | -178.6 | 61.8 | 0 | 0 | 0 | 109.4 | F215 L217 H238 I239 L241 L268 W288 I292 | F215-L224 HydrophobicContact CB-CD1 4.33Å; F215-L224 HydrophobicContact CD1-CD1 3.86Å; F215-L224 HydrophobicContact CD1-CD2 4.16Å; F215-L224 HydrophobicContact CD1-CG 3.77Å; F215-L224 HydrophobicContact CE1-CD2 4.39Å; F215-L224 HydrophobicContact CE1-CG 4.26Å; L217-L224 HydrophobicContact CB-CD1 4.33Å; L217-L224 HydrophobicContact CD1-CD1 4.31Å; L224-H238 CarbonylContact O-C 3.54Å; L224-H238 WeakPolarHBondContact O-CA 3.3Å; L224-I239 HydrophobicContact CB-CB 4.33Å; L224-I239 HydrophobicContact CD2-CD1 4.39Å; L224-I239 PolarHBondContact N-O 3.15Å; L224-I239 PolarHBondContact O-N 3.37Å; L224-L241 HydrophobicContact CB-CD2 4.03Å; L224-L268 HydrophobicContact CD2-CD1 4.21Å; L224-W288 HydrophobicContact CD1-CZ3 3.94Å; L224-I292 HydrophobicContact CD2-CD1 3.96Å |
| 225 | R | 94.8 | Very high | 89.1 | Confident | 21 Ų | 21 | 55.1 Ų | 55.1 | 8% | 0.079 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 151 | -176.8 | -59.6 | -164.8 | -69.6 | -109.4 | -10.6 | 111.4 | F215 V216 D218 Q223 Y227 H238 | F215-R225 CarbonylContact C-O 3.53Å; F215-R225 VanDerWaalsContact CA-O 3.32Å; F215-R225 WeakPolarHBondContact CA-O 3.43Å; V216-R225 PolarHBondContact N-O 2.96Å; V216-R225 PolarHBondContact O-N 2.95Å; D218-R225 IonicContact OD2-CZ 2.87Å; D218-R225 IonicContact OD2-NH1 3.85Å; D218-R225 PolarHBondContact OD2-NH1 3.42Å; D218-R225 IonicContact OD2-NH2 2.68Å; D218-R225 PolarHBondContact OD2-NH2 2.64Å; Q223-R225 HydrophobicContact CB-CG 4.16Å; R225-Y227 HydrophobicContact CB-CE2 3.99Å; R225-Y227 PolarHBondContact NE-OH 3.2Å; R225-H238 HydrophobicContact CB-CB 4.46Å; R225-H238 HydrophobicContact CG-CB 3.85Å |
| 226 | Y | 95.1 | Very high | 88.9 | Confident | 40 Ų | 40 | 62.9 Ų | 62.9 | 16% | 0.157 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 148.9 | 174 | 65.3 | -90.2 | 0 | 0 | 0 | 114.2 | K202 R213 W214 F215 R236 G237 | K202-Y226 PolarHBondContact NZ-OH 2.8Å; R213-Y226 HydrophobicContact CG-CD2 4.28Å; W214-Y226 CarbonylContact O-C 3.43Å; W214-Y226 WeakPolarHBondContact O-CA 3.23Å; F215-Y226 AromaticContact CE1-CD1 3.84Å; F215-Y226 HydrophobicContact CE1-CD1 3.84Å; F215-Y226 AromaticContact CE1-CG 3.98Å; F215-Y226 HydrophobicContact CE1-CG 3.98Å; F215-Y226 HydrophobicContact CZ-CD1 4.08Å; F215-Y226 AromaticContact CZ-CG 3.94Å; F215-Y226 HydrophobicContact CZ-CG 3.94Å; Y226-R236 HydrophobicContact CD2-CB 3.83Å; Y226-R236 HydrophobicContact CD2-CG 4.36Å; Y226-R236 HydrophobicContact CE2-CB 3.63Å; Y226-R236 HydrophobicContact CE2-CG 3.74Å; Y226-R236 PolarHBondContact O-N 3.49Å; Y226-G237 WeakPolarHBondContact CD1-O 3.46Å; Y226-G237 VanDerWaalsContact CE1-C 3.5Å; Y226-G237 PolarHBondContact N-O 3.38Å; Y226-G237 PolarHBondContact O-N 2.86Å |
| 227 | Y | 94.4 | Very high | 88.8 | Confident | 28 Ų | 28 | 63.5 Ų | 63.5 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 162.8 | -172.1 | -56.2 | -100.1 | 0 | 0 | 0 | 110.3 | R213 W214 V216 R225 T229 D232 N234 C235 | R213-Y227 WeakPolarHBondContact CD-O 3.35Å; W214-Y227 PolarHBondContact N-O 2.64Å; W214-Y227 PolarHBondContact O-N 2.98Å; V216-Y227 HydrophobicContact CB-CE2 4.11Å; V216-Y227 HydrophobicContact CG2-CD2 4.14Å; V216-Y227 HydrophobicContact CG2-CE2 3.74Å; R225-Y227 HydrophobicContact CB-CE2 3.99Å; R225-Y227 PolarHBondContact NE-OH 3.2Å; Y227-T229 WeakPolarHBondContact CB-O 3.11Å; Y227-D232 HydrophobicContact CD1-CB 4.1Å; Y227-D232 WeakPolarHBondContact CD1-O 3.35Å; Y227-N234 WeakPolarHBondContact CD1-O 3.36Å; Y227-C235 HydrophobicContact CD1-CB 4.12Å; Y227-C235 VanDerWaalsContact CE1-CA 3.45Å; Y227-C235 HydrophobicContact CE1-CB 3.63Å; Y227-C235 HydrophobicContact CE2-CB 4.41Å |
| 228 | D | 89.9 | Confident | 88.8 | Confident | 86 Ų | 86 | 68 Ų | 68 | 46% | 0.46 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -68.9 | -43.2 | 171.4 | -80 | -76.3 | 0 | 0 | 0 | 109.8 | R213 D232 | R213-D228 IonicContact CZ-OD1 2.7Å; R213-D228 IonicContact CZ-OD2 3.79Å; R213-D228 IonicContact NE-OD1 2.64Å; R213-D228 IonicContact NH1-OD1 3.02Å; R213-D228 PolarHBondContact NH1-OD1 2.67Å; R213-D228 IonicContact NH1-OD2 3.2Å; R213-D228 PolarHBondContact NH1-OD2 3.1Å; R213-D228 IonicContact NH2-OD1 2.69Å; R213-D228 PolarHBondContact NH2-OD1 2.67Å; R213-D228 IonicContact NH2-OD2 2.66Å; D228-D232 WeakPolarHBondContact CA-OD2 3.45Å; D228-D232 VanDerWaalsContact CB-OD2 3.29Å; D228-D232 WeakPolarHBondContact CB-OD2 3.35Å; D228-D232 PolarHBondContact N-OD2 3.08Å |
| 229 | T | 87.4 | Confident | 89 | Confident | 68 Ų | 68 | 68.2 Ų | 68.2 | 42% | 0.417 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -133.2 | 165.3 | 176.7 | 74.6 | 0 | 0 | 0 | 0 | 111.6 | Y227 E231 D232 | Y227-T229 WeakPolarHBondContact CB-O 3.11Å; T229-E231 PolarHBondContact O-N 3.29Å; T229-E231 PolarHBondContact OG1-N 3.34Å; T229-D232 PolarHBondContact N-OD2 2.9Å; T229-D232 PolarHBondContact O-N 3.02Å; T229-D232 PolarHBondContact OG1-N 3.27Å; T229-D232 PolarHBondContact OG1-OD1 3.33Å; T229-D232 VanDerWaalsContact OG1-OD1 3.08Å; T229-D232 PolarHBondContact OG1-OD2 3.25Å |
| 230 | G | 80.9 | Confident | 89.3 | Confident | 35 Ų | 35 | 68.9 Ų | 68.9 | 36% | 0.361 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -12.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | W214 | W214-G230 VanDerWaalsContact CG-CA 3.47Š|
| 231 | E | 80.4 | Confident | 89.7 | Confident | 184 Ų | 184 | 65 Ų | 65 | 86% | 0.86 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -10.8 | -179.5 | -60.1 | -178.2 | 169.5 | 0 | 0 | 112.5 | T229 T233 | T229-E231 PolarHBondContact O-N 3.29Å; T229-E231 PolarHBondContact OG1-N 3.34Å; E231-T233 PolarHBondContact O-N 3.13Å |
| 232 | D | 79.9 | Confident | 90 | Very high | 62 Ų | 62 | 63.1 Ų | 63.1 | 33% | 0.332 | 34% | 0.339 | S | S | . | . | trans | -69.3 | 132.8 | -178.3 | -68 | -31.9 | 0 | 0 | 0 | 111.6 | Y227 D228 T229 | Y227-D232 HydrophobicContact CD1-CB 4.1Å; Y227-D232 WeakPolarHBondContact CD1-O 3.35Å; D228-D232 WeakPolarHBondContact CA-OD2 3.45Å; D228-D232 VanDerWaalsContact CB-OD2 3.29Å; D228-D232 WeakPolarHBondContact CB-OD2 3.35Å; D228-D232 PolarHBondContact N-OD2 3.08Å; T229-D232 PolarHBondContact N-OD2 2.9Å; T229-D232 PolarHBondContact O-N 3.02Å; T229-D232 PolarHBondContact OG1-N 3.27Å; T229-D232 PolarHBondContact OG1-OD1 3.33Å; T229-D232 VanDerWaalsContact OG1-OD1 3.08Å; T229-D232 PolarHBondContact OG1-OD2 3.25Å | ||
| 233 | T | 77.7 | Confident | 90 | Very high | 90 Ų | 90 | 61.8 Ų | 61.8 | 55% | 0.552 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -79.9 | -32.2 | 175.2 | 54.6 | 0 | 0 | 0 | 0 | 112.4 | E231 | E231-T233 PolarHBondContact O-N 3.13Š|
| 234 | N | 81.8 | Confident | 90.1 | Very high | 135 Ų | 135 | 60.4 Ų | 60.4 | 72% | 0.722 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -95.3 | 120.7 | -176.5 | -69.7 | -35.3 | 0 | 0 | 0 | 111 | Y227 | Y227-N234 WeakPolarHBondContact CD1-O 3.36Š|
| 235 | C | 90.1 | Very high | 90 | Very high | 56 Ų | 56 | 65.5 Ų | 65.5 | 38% | 0.378 | 35% | 0.352 | S | S | . | . | trans | -68.9 | 139.8 | 174.8 | 70.3 | 0 | 0 | 0 | 0 | 110.8 | Y227 G237 | Y227-C235 HydrophobicContact CD1-CB 4.12Å; Y227-C235 VanDerWaalsContact CE1-CA 3.45Å; Y227-C235 HydrophobicContact CE1-CB 3.63Å; Y227-C235 HydrophobicContact CE2-CB 4.41Å; C235-G237 VanDerWaalsContact C-N 3.29Å | ||
| 236 | R | 92.3 | Very high | 90 | Very high | 162 Ų | 162 | 66.8 Ų | 66.8 | 61% | 0.611 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -73.3 | -28.4 | 173.6 | -170.9 | 71.2 | 171.7 | 100.7 | -5.5 | 111.4 | Y226 | Y226-R236 HydrophobicContact CD2-CB 3.83Å; Y226-R236 HydrophobicContact CD2-CG 4.36Å; Y226-R236 HydrophobicContact CE2-CB 3.63Å; Y226-R236 HydrophobicContact CE2-CG 3.74Å; Y226-R236 PolarHBondContact O-N 3.49Å |
| 237 | G | 92.6 | Very high | 90.1 | Very high | 15 Ų | 15 | 65.2 Ų | 65.2 | 16% | 0.155 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.3 | 177.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y226 C235 | Y226-G237 WeakPolarHBondContact CD1-O 3.46Å; Y226-G237 VanDerWaalsContact CE1-C 3.5Å; Y226-G237 PolarHBondContact N-O 3.38Å; Y226-G237 PolarHBondContact O-N 2.86Å; C235-G237 VanDerWaalsContact C-N 3.29Å |
| 238 | H | 94.4 | Very high | 90.1 | Very high | 96 Ų | 96 | 67 Ų | 67 | 44% | 0.444 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 163.6 | 177.6 | 64.8 | -89.3 | 0 | 0 | 0 | 110.8 | L224 R225 | L224-H238 CarbonylContact O-C 3.54Å; L224-H238 WeakPolarHBondContact O-CA 3.3Å; R225-H238 HydrophobicContact CB-CB 4.46Å; R225-H238 HydrophobicContact CG-CB 3.85Å |
| 239 | I | 94.9 | Very high | 90.3 | Very high | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.021 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 123.2 | 169.5 | -55 | 170.8 | 0 | 0 | 0 | 105.3 | Q223 L224 V244 L268 T270 Y275 F277 | Q223-I239 WeakPolarHBondContact CA-O 2.89Å; L224-I239 HydrophobicContact CB-CB 4.33Å; L224-I239 HydrophobicContact CD2-CD1 4.39Å; L224-I239 PolarHBondContact N-O 3.15Å; L224-I239 PolarHBondContact O-N 3.37Å; I239-V244 HydrophobicContact CG2-CG2 4.45Å; I239-L268 HydrophobicContact CD1-CD2 4.47Å; I239-L268 HydrophobicContact CG2-CD2 4.09Å; I239-T270 HydrophobicContact CG2-CG2 3.91Å; I239-Y275 HydrophobicContact CD1-CD1 3.58Å; I239-Y275 HydrophobicContact CD1-CD2 4.15Å; I239-Y275 HydrophobicContact CD1-CE1 3.55Å; I239-Y275 HydrophobicContact CD1-CE2 4.14Å; I239-Y275 HydrophobicContact CD1-CG 3.91Å; I239-Y275 HydrophobicContact CG1-CD1 4.36Å; I239-Y275 HydrophobicContact CG1-CE1 3.8Å; I239-Y275 HydrophobicContact CG1-CE2 4.32Å; I239-Y275 HydrophobicContact CG2-CE2 4.26Å; I239-F277 HydrophobicContact CD1-CE2 4.35Å; I239-F277 HydrophobicContact CD1-CZ 3.81Å |
| 240 | D | 94.6 | Very high | 90.5 | Very high | 57 Ų | 57 | 65.3 Ų | 65.3 | 31% | 0.305 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 126.8 | 173.3 | -161.5 | -37.6 | 0 | 0 | 0 | 108.5 | A242 D243 | D240-A242 VanDerWaalsContact C-N 3.25Å; D240-A242 PolarHBondContact O-N 3.11Å; D240-A242 WeakPolarHBondContact OD1-CB 3.46Å; D240-A242 PolarHBondContact OD1-N 2.79Å; D240-D243 HydrophobicContact CB-CB 4.41Å; D240-D243 PolarHBondContact O-N 2.95Å |
| 241 | L | 93.9 | Very high | 90.8 | Very high | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.01 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -72.5 | -22.8 | -179.4 | -62.6 | 178.5 | 0 | 0 | 0 | 111.6 | L217 H222 L224 D243 V244 I292 C295 V296 | L217-L241 HydrophobicContact CD1-CD1 3.68Å; H222-L241 HydrophobicContact CB-CB 4.28Å; H222-L241 WeakPolarHBondContact O-CB 3.38Å; H222-L241 WeakPolarHBondContact O-CG 3.43Å; H222-L241 PolarHBondContact O-N 2.86Å; L224-L241 HydrophobicContact CB-CD2 4.03Å; L241-D243 PolarHBondContact O-N 3.31Å; L241-V244 HydrophobicContact CD2-CG2 4.14Å; L241-V244 WeakPolarHBondContact O-CB 3.43Å; L241-V244 PolarHBondContact O-N 3.47Å; L241-V244 VanDerWaalsContact O-N 3.13Å; L241-I292 HydrophobicContact CD2-CG2 4.1Å; L241-C295 HydrophobicContact CD1-CB 3.67Å; L241-V296 HydrophobicContact CB-CG2 4.46Å |
| 242 | A | 92.2 | Very high | 90.9 | Very high | 79 Ų | 79 | 61 Ų | 61 | 65% | 0.653 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -66.7 | -23.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D240 V244 | D240-A242 VanDerWaalsContact C-N 3.25Å; D240-A242 PolarHBondContact O-N 3.11Å; D240-A242 WeakPolarHBondContact OD1-CB 3.46Å; D240-A242 PolarHBondContact OD1-N 2.79Å; A242-V244 VanDerWaalsContact C-N 3.31Å |
| 243 | D | 93 | Very high | 90.9 | Very high | 36 Ų | 36 | 60.4 Ų | 60.4 | 19% | 0.193 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -82.7 | -7.5 | 176 | -78.2 | -24 | 0 | 0 | 0 | 112.6 | D240 L241 T270 N271 K272 | D240-D243 HydrophobicContact CB-CB 4.41Å; D240-D243 PolarHBondContact O-N 2.95Å; L241-D243 PolarHBondContact O-N 3.31Å; D243-T270 CarbonylContact O-C 3.58Å; D243-T270 WeakPolarHBondContact O-CA 3.35Å; D243-T270 VanDerWaalsContact O-CB 3.23Å; D243-T270 WeakPolarHBondContact O-CB 3.15Å; D243-N271 PolarHBondContact O-N 2.72Å; D243-N271 PolarHBondContact OD1-ND2 3.37Å; D243-K272 IonicContact OD2-NZ 3.76Å; D243-K272 PolarHBondContact OD2-NZ 2.82Å |
| 244 | V | 95.4 | Very high | 90.7 | Very high | 12 Ų | 12 | 63.6 Ų | 63.6 | 7% | 0.073 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 122.2 | -174.3 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | I239 L241 A242 V247 L268 T270 V296 | I239-V244 HydrophobicContact CG2-CG2 4.45Å; L241-V244 HydrophobicContact CD2-CG2 4.14Å; L241-V244 WeakPolarHBondContact O-CB 3.43Å; L241-V244 PolarHBondContact O-N 3.47Å; L241-V244 VanDerWaalsContact O-N 3.13Å; A242-V244 VanDerWaalsContact C-N 3.31Å; V244-V247 HydrophobicContact CG1-CG2 4.08Å; V244-L268 HydrophobicContact CG1-CG 4.22Å; V244-L268 HydrophobicContact CG2-CD1 4.45Å; V244-L268 HydrophobicContact CG2-CD2 3.99Å; V244-L268 HydrophobicContact CG2-CG 4.35Å; V244-T270 HydrophobicContact CG2-CG2 4.11Å; V244-V296 HydrophobicContact CB-CG2 3.87Å; V244-V296 HydrophobicContact CG1-CG2 3.96Å |
| 245 | E | 94.8 | Very high | 90.3 | Very high | 108 Ų | 108 | 60.1 Ų | 60.1 | 51% | 0.505 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -41.2 | 177 | -64.6 | 179.7 | -176.5 | 0 | 0 | 111.6 | K269 | E245-K269 HydrophobicContact CB-CG 4.47Å; E245-K269 PolarHBondContact N-O 3.09Å; E245-K269 WeakPolarHBondContact OE2-CE 3.29Å; E245-K269 IonicContact OE2-NZ 3.89Å; E245-K269 PolarHBondContact OE2-NZ 3.14Å |
| 246 | S | 94.2 | Very high | 89.7 | Confident | 47 Ų | 47 | 58.1 Ų | 58.1 | 33% | 0.329 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 155.2 | -179 | 66.1 | 0 | 0 | 0 | 0 | 112.6 | K269 | S246-K269 PolarHBondContact N-O 3.23Å; S246-K269 PolarHBondContact O-N 2.87Å |
| 247 | V | 96.4 | Very high | 89 | Confident | 8 Ų | 8 | 52.2 Ų | 52.2 | 5% | 0.048 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 121.4 | 170.5 | -173.2 | 0 | 0 | 0 | 0 | 107.5 | V244 F266 D267 L268 M289 I292 Q293 | V244-V247 HydrophobicContact CG1-CG2 4.08Å; V247-F266 HydrophobicContact CG1-CD2 3.95Å; V247-F266 HydrophobicContact CG1-CE2 4.5Å; V247-D267 WeakPolarHBondContact CA-O 3.02Å; V247-L268 HydrophobicContact CG2-CD1 4.28Å; V247-L268 HydrophobicContact CG2-CG 4.28Å; V247-M289 HydrophobicContact CG1-CB 4Å; V247-M289 HydrophobicContact CG1-CG 3.66Å; V247-M289 HydrophobicContact CG1-SD 4.36Å; V247-I292 HydrophobicContact CG2-CB 4.42Å; V247-I292 HydrophobicContact CG2-CG2 3.74Å; V247-Q293 HydrophobicContact CB-CG 3.96Å; V247-Q293 HydrophobicContact CG2-CG 4.23Å; V247-Q293 PolarHBondContact O-NE2 2.8Å |
| 248 | T | 95.6 | Very high | 88.2 | Confident | 65 Ų | 65 | 60.9 Ų | 60.9 | 40% | 0.399 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 145.2 | -174.3 | 54.9 | 0 | 0 | 0 | 0 | 111.7 | F266 D267 | T248-F266 WeakPolarHBondContact O-CA 3.19Å; T248-D267 PolarHBondContact N-O 3.41Å; T248-D267 PolarHBondContact O-N 2.83Å |
| 249 | P | 94.4 | Very high | 87.4 | Confident | 98 Ų | 98 | 65.5 Ų | 65.5 | 64% | 0.636 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 142.2 | 169.4 | -21.7 | 32.1 | 0 | 0 | 0 | 111 | M289 | P249-M289 HydrophobicContact CG-CE 4.21Å; P249-M289 HydrophobicContact CG-SD 4.16Å |
| 250 | A | 91.5 | Very high | 86.8 | Confident | 21 Ų | 21 | 67.1 Ų | 67.1 | 17% | 0.174 | 40% | 0.397 | C | S | . | . | trans | -126.8 | 155.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111 | F265 D267 | A250-F265 HydrophobicContact CB-CB 4.39Å; A250-F265 PolarHBondContact N-O 2.68Å; A250-F265 WeakPolarHBondContact O-CB 3.37Å; A250-D267 HydrophobicContact CB-CB 4.23Å | ||
| 251 | A | 86.4 | Confident | 86.3 | Confident | 74 Ų | 74 | 68.5 Ų | 68.5 | 61% | 0.612 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -82.1 | 152.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | T253 | A251-T253 PolarHBondContact O-N 3.22Š|
| 252 | P | 82.8 | Confident | 85.9 | Confident | 55 Ų | 55 | 75.2 Ų | 75.2 | 36% | 0.357 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 128 | 172.8 | -22.1 | 30.5 | 0 | 0 | 0 | 111.3 | E262 F265 | P252-E262 HydrophobicContact CG-CB 3.89Å; P252-E262 HydrophobicContact CG-CG 3.9Å; P252-F265 HydrophobicContact CB-CD2 4.27Å; P252-F265 HydrophobicContact CB-CE2 4Å; P252-F265 HydrophobicContact CB-CZ 4.16Å; P252-F265 HydrophobicContact CG-CD2 3.82Å; P252-F265 HydrophobicContact CG-CE2 3.77Å; P252-F265 HydrophobicContact CG-CZ 4.42Å |
| 253 | T | 79.9 | Confident | 85.7 | Confident | 48 Ų | 48 | 79.2 Ų | 79.2 | 29% | 0.294 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -99 | 160.6 | 177 | 48.3 | 0 | 0 | 0 | 0 | 112 | R203 W210 A251 G255 A256 | R203-T253 PolarHBondContact NH1-OG1 3.33Å; W210-T253 WeakPolarHBondContact CZ2-OG1 3.37Å; A251-T253 PolarHBondContact O-N 3.22Å; T253-G255 PolarHBondContact O-N 3.2Å; T253-A256 WeakPolarHBondContact O-CB 3.38Å; T253-A256 PolarHBondContact O-N 3.25Å |
| 254 | I | 73.7 | Confident | 85.8 | Confident | 158 Ų | 158 | 77.5 Ų | 77.5 | 81% | 0.81 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 125.7 | -179.2 | -61.9 | 166 | 0 | 0 | 0 | 110.8 | ||
| 255 | G | 73.1 | Confident | 85.8 | Confident | 62 Ų | 62 | 77.1 Ų | 77.1 | 64% | 0.639 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.3 | 0.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | W210 T253 | W210-G255 VanDerWaalsContact CD1-C 3.48Å; T253-G255 PolarHBondContact O-N 3.2Å |
| 256 | A | 78.5 | Confident | 85.8 | Confident | 14 Ų | 14 | 72 Ų | 72 | 12% | 0.116 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -64.2 | 156.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | W210 T253 K258 F265 | W210-A256 HydrophobicContact CZ2-CB 4.13Å; T253-A256 WeakPolarHBondContact O-CB 3.38Å; T253-A256 PolarHBondContact O-N 3.25Å; A256-K258 PolarHBondContact O-N 3.25Å; A256-F265 HydrophobicContact CB-CE1 3.58Å; A256-F265 HydrophobicContact CB-CZ 3.82Å |
| 257 | P | 76.6 | Confident | 85.9 | Confident | 37 Ų | 37 | 71.7 Ų | 71.7 | 24% | 0.24 | 40% | 0.398 | C | S | . | . | trans | -56.7 | 120.9 | 174.2 | -23.2 | 34 | 0 | 0 | 0 | 111.5 | H259 I260 | P257-H259 VanDerWaalsContact C-N 3.3Å; P257-H259 PolarHBondContact O-N 3.25Å; P257-I260 HydrophobicContact CB-CB 4.49Å; P257-I260 HydrophobicContact CB-CD1 3.46Å; P257-I260 VanDerWaalsContact CB-CD1 3.46Å; P257-I260 HydrophobicContact CB-CG1 3.84Å; P257-I260 HydrophobicContact CG-CD1 3.83Å | ||
| 258 | K | 75.4 | Confident | 86 | Confident | 198 Ų | 198 | 71.3 Ų | 71.3 | 86% | 0.861 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -14.9 | -169.8 | -64.3 | -175.6 | -179.7 | -177.9 | 0 | 115.2 | A256 | A256-K258 PolarHBondContact O-N 3.25Š|
| 259 | H | 77.9 | Confident | 86 | Confident | 192 Ų | 192 | 72.7 Ų | 72.7 | 89% | 0.889 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | 11.6 | -174.6 | -60.8 | -67.8 | 0 | 0 | 0 | 113.4 | P257 | P257-H259 VanDerWaalsContact C-N 3.3Å; P257-H259 PolarHBondContact O-N 3.25Å |
| 260 | I | 82.3 | Confident | 86 | Confident | 38 Ų | 38 | 68.3 Ų | 68.3 | 20% | 0.195 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -103.4 | 142 | -178 | -60.3 | -177.3 | 0 | 0 | 0 | 109.3 | P257 E262 A264 F265 | P257-I260 HydrophobicContact CB-CB 4.49Å; P257-I260 HydrophobicContact CB-CD1 3.46Å; P257-I260 VanDerWaalsContact CB-CD1 3.46Å; P257-I260 HydrophobicContact CB-CG1 3.84Å; P257-I260 HydrophobicContact CG-CD1 3.83Å; I260-E262 PolarHBondContact O-N 3.23Å; I260-A264 HydrophobicContact CG2-CB 3.55Å; I260-F265 HydrophobicContact CB-CE2 4.47Å; I260-F265 HydrophobicContact CB-CZ 4.5Å; I260-F265 HydrophobicContact CG2-CE2 4.29Å |
| 261 | N | 84.1 | Confident | 86.1 | Confident | 87 Ų | 87 | 71.6 Ų | 71.6 | 47% | 0.465 | 38% | 0.382 | S | S | . | . | trans | -54.8 | 136.7 | 178.9 | -171.1 | -32.8 | 0 | 0 | 0 | 111.1 | K263 A264 F265 | N261-K263 PolarHBondContact O-N 2.94Å; N261-K263 VanDerWaalsContact O-N 3.13Å; N261-K263 PolarHBondContact OD1-N 2.86Å; N261-A264 HydrophobicContact CB-CB 4.47Å; N261-A264 VanDerWaalsContact O-CB 3.23Å; N261-A264 WeakPolarHBondContact O-CB 3.31Å; N261-A264 PolarHBondContact O-N 3.01Å; N261-F265 WeakPolarHBondContact O-CD2 3.37Å; N261-F265 WeakPolarHBondContact O-CE2 3.18Å | ||
| 262 | E | 85.8 | Confident | 86.2 | Confident | 143 Ų | 143 | 75.4 Ų | 75.4 | 67% | 0.668 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -59.1 | -26.9 | 179.5 | -54.3 | -173.2 | 160.6 | 0 | 0 | 113.1 | P252 I260 A264 F265 | P252-E262 HydrophobicContact CG-CB 3.89Å; P252-E262 HydrophobicContact CG-CG 3.9Å; I260-E262 PolarHBondContact O-N 3.23Å; E262-A264 VanDerWaalsContact C-N 3.28Å; E262-A264 PolarHBondContact O-N 2.95Å; E262-F265 WeakPolarHBondContact O-CD2 3.47Å |
| 263 | K | 88.9 | Confident | 86.7 | Confident | 163 Ų | 163 | 76.6 Ų | 76.6 | 71% | 0.709 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -82.6 | 0.2 | 176.3 | -63.6 | -176 | -179.9 | -176.5 | 0 | 114 | N261 F265 A282 | N261-K263 PolarHBondContact O-N 2.94Å; N261-K263 VanDerWaalsContact O-N 3.13Å; N261-K263 PolarHBondContact OD1-N 2.86Å; K263-F265 VanDerWaalsContact C-N 3.28Å; K263-A282 HydrophobicContact CB-CB 3.56Å |
| 264 | A | 93.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -87 | 1.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I260 N261 E262 C278 A279 A285 | I260-A264 HydrophobicContact CG2-CB 3.55Å; N261-A264 HydrophobicContact CB-CB 4.47Å; N261-A264 VanDerWaalsContact O-CB 3.23Å; N261-A264 WeakPolarHBondContact O-CB 3.31Å; N261-A264 PolarHBondContact O-N 3.01Å; E262-A264 VanDerWaalsContact C-N 3.28Å; E262-A264 PolarHBondContact O-N 2.95Å; A264-C278 WeakPolarHBondContact O-CA 3.39Å; A264-A279 PolarHBondContact O-N 2.96Å; A264-A285 WeakPolarHBondContact O-CB 3.42Å |
| 265 | F | 95.2 | Very high | 88.4 | Confident | 4 Ų | 4 | 71.5 Ų | 71.5 | 2% | 0.018 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 138.8 | -177.4 | -65.5 | -93.3 | 0 | 0 | 0 | 111 | W210 A250 P252 A256 I260 N261 E262 K263 F277 C278 | W210-F265 AromaticContact CH2-CD1 3.96Å; W210-F265 HydrophobicContact CH2-CD1 3.96Å; W210-F265 HydrophobicContact CH2-CE1 4.1Å; W210-F265 HydrophobicContact CZ2-CD1 4.48Å; W210-F265 HydrophobicContact CZ2-CE1 4.35Å; A250-F265 HydrophobicContact CB-CB 4.39Å; A250-F265 PolarHBondContact N-O 2.68Å; A250-F265 WeakPolarHBondContact O-CB 3.37Å; P252-F265 HydrophobicContact CB-CD2 4.27Å; P252-F265 HydrophobicContact CB-CE2 4Å; P252-F265 HydrophobicContact CB-CZ 4.16Å; P252-F265 HydrophobicContact CG-CD2 3.82Å; P252-F265 HydrophobicContact CG-CE2 3.77Å; P252-F265 HydrophobicContact CG-CZ 4.42Å; A256-F265 HydrophobicContact CB-CE1 3.58Å; A256-F265 HydrophobicContact CB-CZ 3.82Å; I260-F265 HydrophobicContact CB-CE2 4.47Å; I260-F265 HydrophobicContact CB-CZ 4.5Å; I260-F265 HydrophobicContact CG2-CE2 4.29Å; N261-F265 WeakPolarHBondContact O-CD2 3.37Å; N261-F265 WeakPolarHBondContact O-CE2 3.18Å; E262-F265 WeakPolarHBondContact O-CD2 3.47Å; K263-F265 VanDerWaalsContact C-N 3.28Å; F265-F277 WeakPolarHBondContact CA-O 3.5Å; F265-C278 HydrophobicContact CD1-CB 3.63Å; F265-C278 HydrophobicContact CE1-CB 3.55Å; F265-C278 WeakPolarHBondContact CE1-SG 3.5Å; F265-C278 HydrophobicContact CG-CB 4.4Å; F265-C278 HydrophobicContact CZ-CB 4.28Å; F265-C278 VanDerWaalsContact CZ-SG 3.59Å |
| 266 | F | 96.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 151.3 | 175.4 | 67.4 | -85.5 | 0 | 0 | 0 | 111.4 | L200 V247 T248 F277 A285 W288 M289 I292 | L200-F266 HydrophobicContact CD1-CZ 4.03Å; L200-F266 HydrophobicContact CD2-CE1 4.07Å; L200-F266 HydrophobicContact CD2-CZ 4.26Å; V247-F266 HydrophobicContact CG1-CD2 3.95Å; V247-F266 HydrophobicContact CG1-CE2 4.5Å; T248-F266 WeakPolarHBondContact O-CA 3.19Å; F266-F277 HydrophobicContact CD1-CB 4.02Å; F266-F277 HydrophobicContact CD2-CB 4.1Å; F266-F277 HydrophobicContact CD2-CD2 4.16Å; F266-F277 HydrophobicContact CE1-CB 3.58Å; F266-F277 HydrophobicContact CE2-CB 3.69Å; F266-F277 AromaticContact CE2-CD2 3.5Å; F266-F277 HydrophobicContact CE2-CD2 3.5Å; F266-F277 HydrophobicContact CE2-CE2 4.49Å; F266-F277 AromaticContact CE2-CG 3.97Å; F266-F277 HydrophobicContact CE2-CG 3.97Å; F266-F277 HydrophobicContact CG-CB 4.27Å; F266-F277 HydrophobicContact CZ-CB 3.41Å; F266-F277 VanDerWaalsContact CZ-CB 3.41Å; F266-F277 AromaticContact CZ-CD2 3.92Å; F266-F277 HydrophobicContact CZ-CD2 3.92Å; F266-F277 AromaticContact CZ-CG 3.92Å; F266-F277 HydrophobicContact CZ-CG 3.92Å; F266-F277 PolarHBondContact N-O 3.08Å; F266-F277 PolarHBondContact O-N 2.87Å; F266-A285 HydrophobicContact CD1-CB 4.21Å; F266-W288 HydrophobicContact CE1-CB 4.19Å; F266-W288 HydrophobicContact CZ-CB 4.02Å; F266-M289 HydrophobicContact CB-CE 4.49Å; F266-M289 HydrophobicContact CB-CG 3.79Å; F266-M289 HydrophobicContact CB-SD 3.42Å; F266-M289 WeakPolarHBondContact CB-SD 3.43Å; F266-M289 HydrophobicContact CD1-CG 4.3Å; F266-M289 HydrophobicContact CD2-CG 3.9Å; F266-M289 HydrophobicContact CG-CG 3.75Å; F266-M289 HydrophobicContact CG-SD 4.09Å; F266-I292 HydrophobicContact CE2-CD1 4.35Å |
| 267 | D | 96.2 | Very high | 90.3 | Very high | 41 Ų | 41 | 69.2 Ų | 69.2 | 22% | 0.219 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 135.2 | 176.4 | -80 | -17.2 | 0 | 0 | 0 | 110.1 | V247 T248 A250 V274 Y275 N276 | V247-D267 WeakPolarHBondContact CA-O 3.02Å; T248-D267 PolarHBondContact N-O 3.41Å; T248-D267 PolarHBondContact O-N 2.83Å; A250-D267 HydrophobicContact CB-CB 4.23Å; D267-V274 HydrophobicContact CB-CG1 3.97Å; D267-Y275 WeakPolarHBondContact CA-O 3.37Å; D267-N276 VanDerWaalsContact OD1-CA 3.31Å; D267-N276 WeakPolarHBondContact OD1-CA 3.43Å; D267-N276 WeakPolarHBondContact OD1-CB 3.44Å; D267-N276 PolarHBondContact OD1-ND2 3.16Å |
| 268 | L | 96.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 109.7 | 173.3 | -179.6 | 151.7 | 0 | 0 | 0 | 107.7 | L224 I239 V244 V247 T270 Y275 F277 I292 | L224-L268 HydrophobicContact CD2-CD1 4.21Å; I239-L268 HydrophobicContact CD1-CD2 4.47Å; I239-L268 HydrophobicContact CG2-CD2 4.09Å; V244-L268 HydrophobicContact CG1-CG 4.22Å; V244-L268 HydrophobicContact CG2-CD1 4.45Å; V244-L268 HydrophobicContact CG2-CD2 3.99Å; V244-L268 HydrophobicContact CG2-CG 4.35Å; V247-L268 HydrophobicContact CG2-CD1 4.28Å; V247-L268 HydrophobicContact CG2-CG 4.28Å; L268-T270 HydrophobicContact CD2-CG2 3.55Å; L268-Y275 HydrophobicContact CD2-CD2 3.78Å; L268-Y275 HydrophobicContact CD2-CE2 4.46Å; L268-Y275 HydrophobicContact CD2-CG 4.35Å; L268-Y275 PolarHBondContact N-O 3.06Å; L268-Y275 PolarHBondContact O-N 3.31Å; L268-F277 HydrophobicContact CB-CD2 4.08Å; L268-F277 HydrophobicContact CB-CE2 3.84Å; L268-F277 HydrophobicContact CD1-CE2 4.21Å; L268-F277 HydrophobicContact CG-CE2 4.48Å; L268-I292 HydrophobicContact CD1-CD1 4.18Å; L268-I292 HydrophobicContact CD1-CG2 3.97Å |
| 269 | K | 96.1 | Very high | 92.2 | Very high | 93 Ų | 93 | 58 Ų | 58 | 40% | 0.404 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 124.6 | -179 | -175.5 | 177.9 | -174.6 | -133.4 | 0 | 109.3 | E245 S246 V274 | E245-K269 HydrophobicContact CB-CG 4.47Å; E245-K269 PolarHBondContact N-O 3.09Å; E245-K269 WeakPolarHBondContact OE2-CE 3.29Å; E245-K269 IonicContact OE2-NZ 3.89Å; E245-K269 PolarHBondContact OE2-NZ 3.14Å; S246-K269 PolarHBondContact N-O 3.23Å; S246-K269 PolarHBondContact O-N 2.87Å; K269-V274 HydrophobicContact CB-CG2 4.44Å; K269-V274 HydrophobicContact CG-CG2 4.12Å |
| 270 | T | 95.3 | Very high | 92.9 | Very high | 7 Ų | 7 | 52.9 Ų | 52.9 | 4% | 0.043 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 168.4 | 168.4 | 75.6 | 0 | 0 | 0 | 0 | 111.2 | I239 D243 V244 L268 K272 R273 Y275 | I239-T270 HydrophobicContact CG2-CG2 3.91Å; D243-T270 CarbonylContact O-C 3.58Å; D243-T270 WeakPolarHBondContact O-CA 3.35Å; D243-T270 VanDerWaalsContact O-CB 3.23Å; D243-T270 WeakPolarHBondContact O-CB 3.15Å; V244-T270 HydrophobicContact CG2-CG2 4.11Å; L268-T270 HydrophobicContact CD2-CG2 3.55Å; T270-K272 PolarHBondContact O-N 2.86Å; T270-K272 VanDerWaalsContact O-N 3.1Å; T270-K272 PolarHBondContact OG1-N 2.93Å; T270-R273 PolarHBondContact N-O 3.27Å; T270-R273 PolarHBondContact O-N 3.3Å; T270-R273 PolarHBondContact OG1-N 3.21Å; T270-R273 PolarHBondContact OG1-O 3.46Å; T270-R273 VanDerWaalsContact OG1-O 3.08Å; T270-Y275 HydrophobicContact CG2-CD2 4Å; T270-Y275 HydrophobicContact CG2-CE2 3.68Å |
| 271 | N | 92.4 | Very high | 93.4 | Very high | 89 Ų | 89 | 53.8 Ų | 53.8 | 48% | 0.476 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -54.5 | -25.4 | 172.1 | 61.7 | 6.6 | 0 | 0 | 0 | 114.2 | D243 | D243-N271 PolarHBondContact O-N 2.72Å; D243-N271 PolarHBondContact OD1-ND2 3.37Å |
| 272 | K | 90.3 | Very high | 93.8 | Very high | 154 Ų | 154 | 50.5 Ų | 50.5 | 67% | 0.67 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -94.4 | -37.7 | -177 | -74.8 | 154.1 | -173.2 | 158 | 0 | 112.7 | D243 T270 | D243-K272 IonicContact OD2-NZ 3.76Å; D243-K272 PolarHBondContact OD2-NZ 2.82Å; T270-K272 PolarHBondContact O-N 2.86Å; T270-K272 VanDerWaalsContact O-N 3.1Å; T270-K272 PolarHBondContact OG1-N 2.93Å |
| 273 | R | 92.9 | Very high | 94.2 | Very high | 81 Ų | 81 | 48 Ų | 48 | 31% | 0.306 | 25% | 0.246 | S | C | . | . | trans | -170.3 | 165.1 | -172.5 | 57.5 | -179.6 | -100.5 | -178.8 | -2.2 | 112.4 | T270 Y275 | T270-R273 PolarHBondContact N-O 3.27Å; T270-R273 PolarHBondContact O-N 3.3Å; T270-R273 PolarHBondContact OG1-N 3.21Å; T270-R273 PolarHBondContact OG1-O 3.46Å; T270-R273 VanDerWaalsContact OG1-O 3.08Å; R273-Y275 HydrophobicContact CG-CD2 4.01Å; R273-Y275 HydrophobicContact CG-CE2 3.43Å; R273-Y275 VanDerWaalsContact CG-CE2 3.43Å; R273-Y275 VanDerWaalsContact NH2-CE1 3.26Å | ||
| 274 | V | 93.8 | Very high | 94.5 | Very high | 72 Ų | 72 | 41.6 Ų | 41.6 | 44% | 0.436 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 130.1 | 165.6 | -173.4 | 0 | 0 | 0 | 0 | 109.9 | D267 K269 | D267-V274 HydrophobicContact CB-CG1 3.97Å; K269-V274 HydrophobicContact CB-CG2 4.44Å; K269-V274 HydrophobicContact CG-CG2 4.12Å |
| 275 | Y | 95.3 | Very high | 94.6 | Very high | 26 Ų | 26 | 41.6 Ų | 41.6 | 10% | 0.102 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 128.6 | 170.4 | -64.1 | -101.5 | 0 | 0 | 0 | 108.7 | I239 D267 L268 T270 R273 F277 | I239-Y275 HydrophobicContact CD1-CD1 3.58Å; I239-Y275 HydrophobicContact CD1-CD2 4.15Å; I239-Y275 HydrophobicContact CD1-CE1 3.55Å; I239-Y275 HydrophobicContact CD1-CE2 4.14Å; I239-Y275 HydrophobicContact CD1-CG 3.91Å; I239-Y275 HydrophobicContact CG1-CD1 4.36Å; I239-Y275 HydrophobicContact CG1-CE1 3.8Å; I239-Y275 HydrophobicContact CG1-CE2 4.32Å; I239-Y275 HydrophobicContact CG2-CE2 4.26Å; D267-Y275 WeakPolarHBondContact CA-O 3.37Å; L268-Y275 HydrophobicContact CD2-CD2 3.78Å; L268-Y275 HydrophobicContact CD2-CE2 4.46Å; L268-Y275 HydrophobicContact CD2-CG 4.35Å; L268-Y275 PolarHBondContact N-O 3.06Å; L268-Y275 PolarHBondContact O-N 3.31Å; T270-Y275 HydrophobicContact CG2-CD2 4Å; T270-Y275 HydrophobicContact CG2-CE2 3.68Å; R273-Y275 HydrophobicContact CG-CD2 4.01Å; R273-Y275 HydrophobicContact CG-CE2 3.43Å; R273-Y275 VanDerWaalsContact CG-CE2 3.43Å; R273-Y275 VanDerWaalsContact NH2-CE1 3.26Å; Y275-F277 HydrophobicContact CD1-CZ 4.2Å; Y275-F277 HydrophobicContact CG-CE2 4.38Å; Y275-F277 HydrophobicContact CG-CZ 4.26Å |
| 276 | N | 95.5 | Very high | 94.6 | Very high | 27 Ų | 27 | 45.7 Ų | 45.7 | 14% | 0.144 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 129.4 | 172.7 | -49.7 | 163.9 | 0 | 0 | 0 | 108.6 | R203 W210 D267 | R203-N276 HydrophobicContact CB-CB 3.98Å; R203-N276 WeakPolarHBondContact CD-OD1 3.4Å; R203-N276 PolarHBondContact N-O 3.45Å; R203-N276 VanDerWaalsContact N-O 3.09Å; R203-N276 PolarHBondContact NH1-OD1 3.06Å; W210-N276 HydrophobicContact CH2-CB 3.87Å; W210-N276 HydrophobicContact CZ2-CB 4.35Å; D267-N276 VanDerWaalsContact OD1-CA 3.31Å; D267-N276 WeakPolarHBondContact OD1-CA 3.43Å; D267-N276 WeakPolarHBondContact OD1-CB 3.44Å; D267-N276 PolarHBondContact OD1-ND2 3.16Å |
| 277 | F | 96.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 155.6 | -179.6 | -65.5 | -61.2 | 0 | 0 | 0 | 111.8 | L200 Y201 K202 F215 I239 F265 F266 L268 Y275 | L200-F277 HydrophobicContact CB-CD1 4.46Å; Y201-F277 CarbonylContact O-C 3.54Å; Y201-F277 VanDerWaalsContact O-CA 3.29Å; Y201-F277 WeakPolarHBondContact O-CA 3.06Å; K202-F277 HydrophobicContact CB-CD1 3.94Å; K202-F277 HydrophobicContact CB-CE1 3.77Å; K202-F277 HydrophobicContact CD-CE1 3.94Å; K202-F277 HydrophobicContact CG-CD1 4.23Å; K202-F277 HydrophobicContact CG-CE1 3.73Å; F215-F277 AromaticContact CE1-CE1 3.9Å; F215-F277 HydrophobicContact CE1-CE1 3.9Å; F215-F277 HydrophobicContact CE1-CZ 4.07Å; F215-F277 HydrophobicContact CE2-CE1 4.12Å; F215-F277 HydrophobicContact CZ-CD1 4.32Å; F215-F277 AromaticContact CZ-CE1 3.46Å; F215-F277 HydrophobicContact CZ-CE1 3.46Å; F215-F277 VanDerWaalsContact CZ-CE1 3.46Å; F215-F277 HydrophobicContact CZ-CZ 4.08Å; I239-F277 HydrophobicContact CD1-CE2 4.35Å; I239-F277 HydrophobicContact CD1-CZ 3.81Å; F265-F277 WeakPolarHBondContact CA-O 3.5Å; F266-F277 HydrophobicContact CD1-CB 4.02Å; F266-F277 HydrophobicContact CD2-CB 4.1Å; F266-F277 HydrophobicContact CD2-CD2 4.16Å; F266-F277 HydrophobicContact CE1-CB 3.58Å; F266-F277 HydrophobicContact CE2-CB 3.69Å; F266-F277 AromaticContact CE2-CD2 3.5Å; F266-F277 HydrophobicContact CE2-CD2 3.5Å; F266-F277 HydrophobicContact CE2-CE2 4.49Å; F266-F277 AromaticContact CE2-CG 3.97Å; F266-F277 HydrophobicContact CE2-CG 3.97Å; F266-F277 HydrophobicContact CG-CB 4.27Å; F266-F277 HydrophobicContact CZ-CB 3.41Å; F266-F277 VanDerWaalsContact CZ-CB 3.41Å; F266-F277 AromaticContact CZ-CD2 3.92Å; F266-F277 HydrophobicContact CZ-CD2 3.92Å; F266-F277 AromaticContact CZ-CG 3.92Å; F266-F277 HydrophobicContact CZ-CG 3.92Å; F266-F277 PolarHBondContact N-O 3.08Å; F266-F277 PolarHBondContact O-N 2.87Å; L268-F277 HydrophobicContact CB-CD2 4.08Å; L268-F277 HydrophobicContact CB-CE2 3.84Å; L268-F277 HydrophobicContact CD1-CE2 4.21Å; L268-F277 HydrophobicContact CG-CE2 4.48Å; Y275-F277 HydrophobicContact CD1-CZ 4.2Å; Y275-F277 HydrophobicContact CG-CE2 4.38Å; Y275-F277 HydrophobicContact CG-CZ 4.26Å |
| 278 | C | 94.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 124.9 | 174.3 | 173.7 | 0 | 0 | 0 | 0 | 108.5 | Y201 W210 A264 F265 | Y201-C278 PolarHBondContact N-O 3.4Å; Y201-C278 PolarHBondContact O-N 3.18Å; W210-C278 HydrophobicContact CE3-CB 4.26Å; W210-C278 HydrophobicContact CH2-CB 4.26Å; W210-C278 HydrophobicContact CZ3-CB 3.66Å; A264-C278 WeakPolarHBondContact O-CA 3.39Å; F265-C278 HydrophobicContact CD1-CB 3.63Å; F265-C278 HydrophobicContact CE1-CB 3.55Å; F265-C278 WeakPolarHBondContact CE1-SG 3.5Å; F265-C278 HydrophobicContact CG-CB 4.4Å; F265-C278 HydrophobicContact CZ-CB 4.28Å; F265-C278 VanDerWaalsContact CZ-SG 3.59Å |
| 279 | A | 95.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.008 | 25% | 0.25 | C | C | . | . | trans | -86.5 | 179.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L200 A264 D281 A285 | L200-A279 HydrophobicContact CD2-CB 3.94Å; A264-A279 PolarHBondContact O-N 2.96Å; A279-D281 VanDerWaalsContact C-N 3.3Å; A279-A285 HydrophobicContact CB-CB 3.84Å | ||
| 280 | S | 92.4 | Very high | 94.5 | Very high | 83 Ų | 83 | 46.4 Ų | 46.4 | 58% | 0.58 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -64.6 | -34.1 | 173.8 | 40.8 | 0 | 0 | 0 | 0 | 113.1 | ||
| 281 | D | 92.6 | Very high | 94.5 | Very high | 57 Ų | 57 | 49.6 Ų | 49.6 | 31% | 0.305 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -158.5 | 164.4 | -169.7 | 60.7 | -58.9 | 0 | 0 | 0 | 110.8 | A279 P283 S284 A285 | A279-D281 VanDerWaalsContact C-N 3.3Å; D281-P283 VanDerWaalsContact OD2-CD 3.23Å; D281-P283 WeakPolarHBondContact OD2-CD 3.41Å; D281-S284 VanDerWaalsContact CG-OG 3.31Å; D281-S284 PolarHBondContact O-N 3.19Å; D281-S284 WeakPolarHBondContact OD1-CB 3.35Å; D281-S284 PolarHBondContact OD1-OG 2.97Å; D281-S284 PolarHBondContact OD2-N 3.32Å; D281-S284 PolarHBondContact OD2-OG 3.17Å; D281-A285 PolarHBondContact O-N 3.45Å |
| 282 | A | 92.9 | Very high | 94.6 | Very high | 19 Ų | 19 | 45.3 Ų | 45.3 | 16% | 0.157 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.7 | -43.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | K263 S284 A285 Q286 | K263-A282 HydrophobicContact CB-CB 3.56Å; A282-S284 PolarHBondContact O-N 2.84Å; A282-A285 PolarHBondContact O-N 3.07Å; A282-Q286 PolarHBondContact O-N 3.43Å |
| 283 | P | 95.1 | Very high | 94.8 | Very high | 89 Ų | 89 | 41.6 Ų | 41.6 | 58% | 0.578 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -56.1 | -48.1 | 171.7 | -25.3 | 32 | 0 | 0 | 0 | 113 | D281 A285 Q286 V287 | D281-P283 VanDerWaalsContact OD2-CD 3.23Å; D281-P283 WeakPolarHBondContact OD2-CD 3.41Å; P283-A285 VanDerWaalsContact C-N 3.33Å; P283-A285 PolarHBondContact O-N 2.9Å; P283-Q286 WeakPolarHBondContact O-CB 3.29Å; P283-Q286 PolarHBondContact O-N 2.88Å; P283-Q286 VanDerWaalsContact O-N 3.14Å; P283-V287 WeakPolarHBondContact O-CG2 3.39Å; P283-V287 PolarHBondContact O-N 2.95Å |
| 284 | S | 94.9 | Very high | 94.7 | Very high | 30 Ų | 30 | 40.7 Ų | 40.7 | 21% | 0.21 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.2 | -39.5 | 178.7 | -62.9 | 0 | 0 | 0 | 0 | 112.6 | D281 A282 Q286 V287 W288 | D281-S284 VanDerWaalsContact CG-OG 3.31Å; D281-S284 PolarHBondContact O-N 3.19Å; D281-S284 WeakPolarHBondContact OD1-CB 3.35Å; D281-S284 PolarHBondContact OD1-OG 2.97Å; D281-S284 PolarHBondContact OD2-N 3.32Å; D281-S284 PolarHBondContact OD2-OG 3.17Å; A282-S284 PolarHBondContact O-N 2.84Å; S284-Q286 VanDerWaalsContact C-N 3.31Å; S284-Q286 PolarHBondContact O-N 2.92Å; S284-V287 PolarHBondContact O-N 3.13Å; S284-W288 VanDerWaalsContact O-CD1 3.23Å; S284-W288 PolarHBondContact O-N 2.99Å |
| 285 | A | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.4 | -42.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A264 F266 A279 D281 A282 P283 W288 M289 | A264-A285 WeakPolarHBondContact O-CB 3.42Å; F266-A285 HydrophobicContact CD1-CB 4.21Å; A279-A285 HydrophobicContact CB-CB 3.84Å; D281-A285 PolarHBondContact O-N 3.45Å; A282-A285 PolarHBondContact O-N 3.07Å; P283-A285 VanDerWaalsContact C-N 3.33Å; P283-A285 PolarHBondContact O-N 2.9Å; A285-W288 PolarHBondContact O-N 3.36Å; A285-M289 WeakPolarHBondContact O-CG 3.35Å; A285-M289 PolarHBondContact O-N 3.02Å |
| 286 | Q | 95.9 | Very high | 94.2 | Very high | 90 Ų | 90 | 38.3 Ų | 38.3 | 42% | 0.421 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.7 | -46.6 | 176.9 | -167.8 | 62.6 | 47.9 | 0 | 0 | 111.7 | A282 P283 S284 W288 M289 D290 | A282-Q286 PolarHBondContact O-N 3.43Å; P283-Q286 WeakPolarHBondContact O-CB 3.29Å; P283-Q286 PolarHBondContact O-N 2.88Å; P283-Q286 VanDerWaalsContact O-N 3.14Å; S284-Q286 VanDerWaalsContact C-N 3.31Å; S284-Q286 PolarHBondContact O-N 2.92Å; Q286-W288 VanDerWaalsContact C-N 3.31Å; Q286-W288 PolarHBondContact O-N 3.33Å; Q286-M289 PolarHBondContact O-N 2.89Å; Q286-M289 VanDerWaalsContact O-N 3.13Å; Q286-D290 PolarHBondContact NE2-OD1 3.26Å; Q286-D290 PolarHBondContact O-N 3.37Å |
| 287 | V | 95.9 | Very high | 93.5 | Very high | 58 Ų | 58 | 41.5 Ų | 41.5 | 35% | 0.352 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.9 | -41.6 | 177.5 | 176 | 0 | 0 | 0 | 0 | 111.7 | Y196 P283 S284 K291 | Y196-V287 HydrophobicContact CE1-CG1 3.92Å; Y196-V287 HydrophobicContact CE2-CG1 4.25Å; P283-V287 WeakPolarHBondContact O-CG2 3.39Å; P283-V287 PolarHBondContact O-N 2.95Å; S284-V287 PolarHBondContact O-N 3.13Å; V287-K291 HydrophobicContact CG1-CD 4.26Å; V287-K291 HydrophobicContact CG1-CG 4.44Å; V287-K291 WeakPolarHBondContact O-CB 3.5Å; V287-K291 WeakPolarHBondContact O-CG 3.47Å; V287-K291 PolarHBondContact O-N 2.91Å |
| 288 | W | 96.4 | Very high | 92.1 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 3% | 0.027 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.4 | -47.1 | 174.2 | -87.4 | 107.2 | 0 | 0 | 0 | 112.1 | Y196 L200 F215 L217 L224 F266 S284 A285 Q286 I292 | Y196-W288 AromaticContact CD1-CD2 3.65Å; Y196-W288 HydrophobicContact CD1-CD2 3.65Å; Y196-W288 AromaticContact CD1-CE2 3.71Å; Y196-W288 AromaticContact CD1-CE3 3.62Å; Y196-W288 HydrophobicContact CD1-CE3 3.62Å; Y196-W288 HydrophobicContact CD1-CG 4.34Å; Y196-W288 AromaticContact CD1-CH2 3.8Å; Y196-W288 HydrophobicContact CD1-CH2 3.8Å; Y196-W288 AromaticContact CD1-CZ2 3.81Å; Y196-W288 HydrophobicContact CD1-CZ2 3.81Å; Y196-W288 AromaticContact CD1-CZ3 3.7Å; Y196-W288 HydrophobicContact CD1-CZ3 3.7Å; Y196-W288 AromaticContact CE1-CD1 3.77Å; Y196-W288 AromaticContact CE1-CD2 3.43Å; Y196-W288 HydrophobicContact CE1-CD2 3.43Å; Y196-W288 VanDerWaalsContact CE1-CD2 3.43Å; Y196-W288 AromaticContact CE1-CE2 3.35Å; Y196-W288 AromaticContact CE1-CE3 3.93Å; Y196-W288 HydrophobicContact CE1-CE3 3.93Å; Y196-W288 AromaticContact CE1-CG 3.73Å; Y196-W288 HydrophobicContact CE1-CG 3.73Å; Y196-W288 HydrophobicContact CE1-CH2 4.27Å; Y196-W288 AromaticContact CE1-CZ2 3.82Å; Y196-W288 HydrophobicContact CE1-CZ2 3.82Å; Y196-W288 HydrophobicContact CE1-CZ3 4.32Å; Y196-W288 AromaticContact CE1-NE1 3.55Å; L200-W288 HydrophobicContact CD1-CD2 3.83Å; L200-W288 HydrophobicContact CD1-CE3 4.08Å; L200-W288 HydrophobicContact CD1-CG 4.26Å; L200-W288 HydrophobicContact CD1-CH2 4.48Å; L200-W288 HydrophobicContact CD1-CZ2 4.25Å; L200-W288 HydrophobicContact CD1-CZ3 4.4Å; L200-W288 HydrophobicContact CD2-CD2 4.27Å; L200-W288 HydrophobicContact CD2-CG 4.03Å; L200-W288 HydrophobicContact CG-CD2 4.27Å; L200-W288 HydrophobicContact CG-CZ2 4.25Å; F215-W288 HydrophobicContact CB-CH2 3.77Å; F215-W288 HydrophobicContact CB-CZ2 4.27Å; F215-W288 HydrophobicContact CB-CZ3 4.37Å; L217-W288 HydrophobicContact CB-CZ3 4.34Å; L224-W288 HydrophobicContact CD1-CZ3 3.94Å; F266-W288 HydrophobicContact CE1-CB 4.19Å; F266-W288 HydrophobicContact CZ-CB 4.02Å; S284-W288 VanDerWaalsContact O-CD1 3.23Å; S284-W288 PolarHBondContact O-N 2.99Å; A285-W288 PolarHBondContact O-N 3.36Å; Q286-W288 VanDerWaalsContact C-N 3.31Å; Q286-W288 PolarHBondContact O-N 3.33Å; W288-I292 HydrophobicContact CE3-CD1 4.21Å; W288-I292 WeakPolarHBondContact O-CB 3.47Å; W288-I292 WeakPolarHBondContact O-CD1 3.44Å; W288-I292 WeakPolarHBondContact O-CG1 3.23Å; W288-I292 PolarHBondContact O-N 3.46Å |
| 289 | M | 95.9 | Very high | 90.2 | Very high | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.025 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.4 | -49.4 | 179.1 | -69.2 | -171.6 | -71.9 | 0 | 0 | 111.7 | V247 P249 F266 A285 Q286 K291 I292 Q293 | V247-M289 HydrophobicContact CG1-CB 4Å; V247-M289 HydrophobicContact CG1-CG 3.66Å; V247-M289 HydrophobicContact CG1-SD 4.36Å; P249-M289 HydrophobicContact CG-CE 4.21Å; P249-M289 HydrophobicContact CG-SD 4.16Å; F266-M289 HydrophobicContact CB-CE 4.49Å; F266-M289 HydrophobicContact CB-CG 3.79Å; F266-M289 HydrophobicContact CB-SD 3.42Å; F266-M289 WeakPolarHBondContact CB-SD 3.43Å; F266-M289 HydrophobicContact CD1-CG 4.3Å; F266-M289 HydrophobicContact CD2-CG 3.9Å; F266-M289 HydrophobicContact CG-CG 3.75Å; F266-M289 HydrophobicContact CG-SD 4.09Å; A285-M289 WeakPolarHBondContact O-CG 3.35Å; A285-M289 PolarHBondContact O-N 3.02Å; Q286-M289 PolarHBondContact O-N 2.89Å; Q286-M289 VanDerWaalsContact O-N 3.13Å; M289-K291 PolarHBondContact O-N 3.06Å; M289-I292 PolarHBondContact O-N 3.14Å; M289-Q293 WeakPolarHBondContact O-CB 3.36Å; M289-Q293 VanDerWaalsContact O-CG 3.29Å; M289-Q293 WeakPolarHBondContact O-CG 3.46Å; M289-Q293 PolarHBondContact O-N 3.47Å |
| 290 | D | 95.2 | Very high | 89.9 | Confident | 79 Ų | 79 | 55.6 Ų | 55.6 | 42% | 0.422 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | -177.6 | -64.3 | -13.6 | 0 | 0 | 0 | 111.1 | Q286 Q293 S294 | Q286-D290 PolarHBondContact NE2-OD1 3.26Å; Q286-D290 PolarHBondContact O-N 3.37Å; D290-Q293 PolarHBondContact O-N 3.4Å; D290-S294 PolarHBondContact O-N 3.01Å |
| 291 | K | 94.3 | Very high | 89.8 | Confident | 73 Ų | 73 | 54.1 Ų | 54.1 | 32% | 0.317 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 178.9 | -74.4 | -168.1 | 173.5 | -167.4 | 0 | 112.5 | S195 Y196 L217 V287 M289 S294 C295 | S195-K291 PolarHBondContact O-NZ 2.66Å; S195-K291 VanDerWaalsContact O-NZ 3.08Å; Y196-K291 HydrophobicContact CD1-CD 3.67Å; Y196-K291 HydrophobicContact CD2-CD 4.03Å; Y196-K291 HydrophobicContact CE1-CD 4.33Å; Y196-K291 HydrophobicContact CG-CD 3.48Å; Y196-K291 VanDerWaalsContact CG-CD 3.48Å; L217-K291 HydrophobicContact CD2-CB 3.81Å; V287-K291 HydrophobicContact CG1-CD 4.26Å; V287-K291 HydrophobicContact CG1-CG 4.44Å; V287-K291 WeakPolarHBondContact O-CB 3.5Å; V287-K291 WeakPolarHBondContact O-CG 3.47Å; V287-K291 PolarHBondContact O-N 2.91Å; M289-K291 PolarHBondContact O-N 3.06Å; K291-S294 PolarHBondContact O-N 3.35Å; K291-C295 PolarHBondContact O-N 3.49Å; K291-C295 PolarHBondContact O-SG 3.02Å |
| 292 | I | 95 | Very high | 89.6 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 177.2 | -65.6 | 164.7 | 0 | 0 | 0 | 110 | L217 L224 L241 V247 F266 L268 W288 M289 S294 C295 V296 | L217-I292 HydrophobicContact CD1-CG1 4.33Å; L224-I292 HydrophobicContact CD2-CD1 3.96Å; L241-I292 HydrophobicContact CD2-CG2 4.1Å; V247-I292 HydrophobicContact CG2-CB 4.42Å; V247-I292 HydrophobicContact CG2-CG2 3.74Å; F266-I292 HydrophobicContact CE2-CD1 4.35Å; L268-I292 HydrophobicContact CD1-CD1 4.18Å; L268-I292 HydrophobicContact CD1-CG2 3.97Å; W288-I292 HydrophobicContact CE3-CD1 4.21Å; W288-I292 WeakPolarHBondContact O-CB 3.47Å; W288-I292 WeakPolarHBondContact O-CD1 3.44Å; W288-I292 WeakPolarHBondContact O-CG1 3.23Å; W288-I292 PolarHBondContact O-N 3.46Å; M289-I292 PolarHBondContact O-N 3.14Å; I292-S294 PolarHBondContact O-N 3.05Å; I292-C295 PolarHBondContact O-N 3.37Å; I292-V296 WeakPolarHBondContact O-CG2 3.1Å; I292-V296 PolarHBondContact O-N 3.37Å; I292-V296 VanDerWaalsContact O-N 3.14Å |
| 293 | Q | 94.1 | Very high | 89.4 | Confident | 76 Ų | 76 | 56 Ų | 56 | 36% | 0.355 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.7 | -38.9 | 178.5 | -75.2 | 177.4 | -10.4 | 0 | 0 | 112.8 | V247 M289 D290 C295 V296 S297 | V247-Q293 HydrophobicContact CB-CG 3.96Å; V247-Q293 HydrophobicContact CG2-CG 4.23Å; V247-Q293 PolarHBondContact O-NE2 2.8Å; M289-Q293 WeakPolarHBondContact O-CB 3.36Å; M289-Q293 VanDerWaalsContact O-CG 3.29Å; M289-Q293 WeakPolarHBondContact O-CG 3.46Å; M289-Q293 PolarHBondContact O-N 3.47Å; D290-Q293 PolarHBondContact O-N 3.4Å; Q293-C295 VanDerWaalsContact C-N 3.32Å; Q293-C295 PolarHBondContact O-N 3.32Å; Q293-V296 PolarHBondContact O-N 3.5Å; Q293-S297 WeakPolarHBondContact O-CB 3.23Å; Q293-S297 PolarHBondContact O-N 2.59Å; Q293-S297 PolarHBondContact O-OG 2.99Å |
| 294 | S | 91.8 | Very high | 89.1 | Confident | 61 Ų | 61 | 53.9 Ų | 53.9 | 43% | 0.427 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -56.7 | -47.5 | 173.3 | -169.6 | 0 | 0 | 0 | 0 | 110.9 | D290 K291 I292 V296 S297 D298 | D290-S294 PolarHBondContact O-N 3.01Å; K291-S294 PolarHBondContact O-N 3.35Å; I292-S294 PolarHBondContact O-N 3.05Å; S294-V296 VanDerWaalsContact C-N 3.27Å; S294-V296 PolarHBondContact O-N 3.35Å; S294-S297 PolarHBondContact O-N 2.79Å; S294-S297 VanDerWaalsContact O-N 3.17Å; S294-D298 VanDerWaalsContact O-CG 3.29Å; S294-D298 PolarHBondContact O-N 3.13Å; S294-D298 VanDerWaalsContact O-N 3.07Å |
| 295 | C | 88.9 | Confident | 88.7 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 5% | 0.047 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.9 | -24.4 | -179.5 | -58.1 | 0 | 0 | 0 | 0 | 114.4 | H222 L241 K291 I292 Q293 | H222-C295 PolarHBondContact ND1-O 2.87Å; L241-C295 HydrophobicContact CD1-CB 3.67Å; K291-C295 PolarHBondContact O-N 3.49Å; K291-C295 PolarHBondContact O-SG 3.02Å; I292-C295 PolarHBondContact O-N 3.37Å; Q293-C295 VanDerWaalsContact C-N 3.32Å; Q293-C295 PolarHBondContact O-N 3.32Å |
| 296 | V | 88.9 | Confident | 88.2 | Confident | 41 Ų | 41 | 59.5 Ų | 59.5 | 25% | 0.248 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -81.3 | -32 | 175.3 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | L241 V244 I292 Q293 S294 | L241-V296 HydrophobicContact CB-CG2 4.46Å; V244-V296 HydrophobicContact CB-CG2 3.87Å; V244-V296 HydrophobicContact CG1-CG2 3.96Å; I292-V296 WeakPolarHBondContact O-CG2 3.1Å; I292-V296 PolarHBondContact O-N 3.37Å; I292-V296 VanDerWaalsContact O-N 3.14Å; Q293-V296 PolarHBondContact O-N 3.5Å; S294-V296 VanDerWaalsContact C-N 3.27Å; S294-V296 PolarHBondContact O-N 3.35Å |
| 297 | S | 81.6 | Confident | 87.6 | Confident | 94 Ų | 94 | 57.2 Ų | 57.2 | 66% | 0.657 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -80 | -25.8 | -179 | -52.8 | 0 | 0 | 0 | 0 | 113.3 | Q293 S294 A299 | Q293-S297 WeakPolarHBondContact O-CB 3.23Å; Q293-S297 PolarHBondContact O-N 2.59Å; Q293-S297 PolarHBondContact O-OG 2.99Å; S294-S297 PolarHBondContact O-N 2.79Å; S294-S297 VanDerWaalsContact O-N 3.17Å; S297-A299 VanDerWaalsContact C-N 3.3Å |
| 298 | D | 66.6 | Low | 86.9 | Confident | 124 Ų | 124 | 57.1 Ų | 57.1 | 66% | 0.663 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -1.4 | 179.7 | -68.6 | -25.5 | 0 | 0 | 0 | 113.8 | S294 | S294-D298 VanDerWaalsContact O-CG 3.29Å; S294-D298 PolarHBondContact O-N 3.13Å; S294-D298 VanDerWaalsContact O-N 3.07Å |
| 299 | A | 54.3 | Low | 86 | Confident | 118 Ų | 118 | 61.6 Ų | 61.6 | 98% | 0.975 | 38% | 0.376 | S | S | * | . | trans | -99.5 | 0 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S297 | S297-A299 VanDerWaalsContact C-N 3.3Š|
Retrieved 299 of 299 residues in 576.7 ms
(Link to these results)