| 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 | 43.7 | Very low | 53.5 | Low | 244 Ų | 244 | 186.5 Ų | 186.5 | 100% | 1.202 | 89% | 0.893 | S | S | * | * | 0 | 122 | 0 | -76.9 | 178.2 | -172.8 | 0 | 0 | 108.6 | |||||
| 2 | V | 43 | Very low | 54 | Low | 132 Ų | 132 | 190.4 Ų | 190.4 | 80% | 0.8 | 89% | 0.892 | S | S | * | * | trans | -63.6 | 127.7 | -174.7 | 179 | 0 | 0 | 0 | 0 | 110.4 | V4 | V2-V4 HydrophobicContact CG1-CG2 4.06Š| ||
| 3 | R | 46.7 | Very low | 54.4 | Low | 242 Ų | 242 | 184.9 Ų | 184.9 | 91% | 0.913 | 88% | 0.883 | S | S | * | * | trans | -122.6 | 107.1 | 158.6 | -82 | -173 | 178 | 173.8 | 0.6 | 108.7 | L5 | R3-L5 PolarHBondContact O-N 2.96Š| ||
| 4 | V | 55.2 | Low | 54.9 | Low | 129 Ų | 129 | 185.6 Ų | 185.6 | 78% | 0.782 | 88% | 0.88 | S | S | * | * | trans | -55.8 | 121.5 | -179.7 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | V2 R6 | V2-V4 HydrophobicContact CG1-CG2 4.06Å; V4-R6 PolarHBondContact O-N 3.09Å | ||
| 5 | L | 51 | Low | 55.1 | Low | 169 Ų | 169 | 184.1 Ų | 184.1 | 89% | 0.885 | 88% | 0.879 | S | S | * | * | trans | -66.9 | 111.8 | 169.6 | -73.1 | 160.6 | 0 | 0 | 0 | 108.4 | R3 A7 | R3-L5 PolarHBondContact O-N 2.96Å; L5-A7 PolarHBondContact O-N 2.96Å; L5-A7 VanDerWaalsContact O-N 3.1Å | ||
| 6 | R | 55.4 | Low | 55.6 | Low | 243 Ų | 243 | 180.4 Ų | 180.4 | 92% | 0.917 | 87% | 0.872 | S | S | * | * | trans | -64.2 | 107.1 | 170.6 | -114.1 | 175.9 | 170.3 | -178.1 | -3.1 | 108.3 | V4 K8 | V4-R6 PolarHBondContact O-N 3.09Å; R6-K8 PolarHBondContact O-N 3.24Å; R6-K8 VanDerWaalsContact O-N 3.14Å | ||
| 7 | A | 55.4 | Low | 56.3 | Low | 97 Ų | 97 | 178.4 Ų | 178.4 | 80% | 0.802 | 86% | 0.86 | S | S | * | * | trans | -61.3 | 113.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | L5 K9 | L5-A7 PolarHBondContact O-N 2.96Å; L5-A7 VanDerWaalsContact O-N 3.1Å; A7-K9 PolarHBondContact O-N 2.95Å | ||
| 8 | K | 59.9 | Low | 56.8 | Low | 200 Ų | 200 | 178.8 Ų | 178.8 | 87% | 0.87 | 86% | 0.861 | S | S | * | * | trans | -65.1 | 116.7 | 165.7 | -83.8 | 179.6 | 175.3 | 176.7 | 0 | 107.3 | R6 Q10 | R6-K8 PolarHBondContact O-N 3.24Å; R6-K8 VanDerWaalsContact O-N 3.14Å; K8-Q10 PolarHBondContact O-N 2.79Å | ||
| 9 | K | 54.8 | Low | 57.5 | Low | 207 Ų | 207 | 174.1 Ų | 174.1 | 90% | 0.9 | 84% | 0.836 | S | S | * | * | trans | -53.1 | 113.6 | 168.8 | -89.1 | -178.7 | 174.1 | 179.3 | 0 | 108.5 | A7 K11 | A7-K9 PolarHBondContact O-N 2.95Å; K9-K11 PolarHBondContact O-N 3.19Å | ||
| 10 | Q | 61 | Low | 58 | Low | 187 Ų | 187 | 172 Ų | 172 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 125.6 | 165.5 | -71.2 | -171.8 | -25.1 | 0 | 0 | 107.7 | K8 R12 | K8-Q10 PolarHBondContact O-N 2.79Å; Q10-R12 PolarHBondContact O-N 3.14Å |
| 11 | K | 62.8 | Low | 58.2 | Low | 202 Ų | 202 | 172 Ų | 172 | 88% | 0.878 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 128.3 | 171.1 | -72.4 | -178.5 | 177.2 | 179.5 | 0 | 107 | K9 | K9-K11 PolarHBondContact O-N 3.19Š|
| 12 | R | 58.8 | Low | 59.2 | Low | 233 Ų | 233 | 167.7 Ų | 167.7 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 139 | 171.1 | -69.9 | -179.2 | 166.5 | -172.7 | -5.8 | 108.6 | Q10 K14 | Q10-R12 PolarHBondContact O-N 3.14Å; R12-K14 PolarHBondContact O-N 2.98Å |
| 13 | P | 59.2 | Low | 60.8 | Low | 119 Ų | 119 | 164.5 Ų | 164.5 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 132.1 | 171 | 26.4 | -32.5 | 0 | 0 | 0 | 108 | N15 | P13-N15 PolarHBondContact O-N 2.87Š|
| 14 | K | 61.4 | Low | 61.9 | Low | 195 Ų | 195 | 157.9 Ų | 157.9 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 123.9 | 168.3 | -70.4 | -179.8 | 176.2 | -177.3 | 0 | 106 | R12 V16 | R12-K14 PolarHBondContact O-N 2.98Å; K14-V16 PolarHBondContact O-N 2.93Å; K14-V16 VanDerWaalsContact O-N 3.11Å |
| 15 | N | 57.8 | Low | 62.7 | Low | 162 Ų | 162 | 159.2 Ų | 159.2 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -58 | 118.3 | 164.9 | -97.8 | 2 | 0 | 0 | 0 | 106.8 | P13 | P13-N15 PolarHBondContact O-N 2.87Š|
| 16 | V | 64 | Low | 63.4 | Low | 125 Ų | 125 | 153.3 Ų | 153.3 | 76% | 0.758 | 75% | 0.748 | S | S | * | * | trans | -83.1 | 110.6 | 166.3 | -177.7 | 0 | 0 | 0 | 0 | 104.2 | K14 Q18 | K14-V16 PolarHBondContact O-N 2.93Å; K14-V16 VanDerWaalsContact O-N 3.11Å; V16-Q18 PolarHBondContact O-N 3.26Å; V16-Q18 VanDerWaalsContact O-N 3.13Å | ||
| 17 | E | 68.1 | Low | 64 | Low | 146 Ų | 146 | 147.6 Ų | 147.6 | 68% | 0.682 | 73% | 0.728 | S | S | * | * | trans | -62.6 | 113.2 | 168.8 | -67.6 | 176.8 | 176 | 0 | 0 | 106.4 | F19 | E17-F19 HydrophobicContact CB-CE2 4.12Å; E17-F19 HydrophobicContact CB-CZ 3.98Å | ||
| 18 | Q | 64.8 | Low | 64.7 | Low | 186 Ų | 186 | 146 Ų | 146 | 87% | 0.869 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 119.1 | 170.8 | -76.8 | 179 | -24.9 | 0 | 0 | 106.7 | V16 | V16-Q18 PolarHBondContact O-N 3.26Å; V16-Q18 VanDerWaalsContact O-N 3.13Å |
| 19 | F | 69.3 | Low | 65.2 | Low | 89 Ų | 89 | 144.2 Ų | 144.2 | 39% | 0.39 | 72% | 0.72 | S | S | . | * | P | Polyproline II helix | trans | -93.1 | 139.8 | 171.5 | -61.7 | -75.8 | 0 | 0 | 0 | 107.8 | E17 D23 K25 A26 | E17-F19 HydrophobicContact CB-CE2 4.12Å; E17-F19 HydrophobicContact CB-CZ 3.98Å; F19-D23 HydrophobicContact CB-CB 4.02Å; F19-D23 WeakPolarHBondContact CD1-OD2 3.37Å; F19-K25 HydrophobicContact CE1-CD 4.44Å; F19-A26 HydrophobicContact CB-CB 4.26Å |
| 20 | D | 67.8 | Low | 66 | Low | 133 Ų | 133 | 139.7 Ų | 139.7 | 71% | 0.711 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 159 | 174.9 | -66.5 | -35.5 | 0 | 0 | 0 | 110.4 | D22 D23 | D20-D22 PolarHBondContact O-N 3.04Å; D20-D23 WeakPolarHBondContact O-CB 3.43Å; D20-D23 PolarHBondContact O-N 2.93Å |
| 21 | E | 62.5 | Low | 66.6 | Low | 172 Ų | 172 | 136.3 Ų | 136.3 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -22.4 | -172.1 | -68 | -179.3 | 170.1 | 0 | 0 | 113.7 | Y27 | E21-Y27 WeakPolarHBondContact O-CE2 3.41Å; E21-Y27 PolarHBondContact O-OH 3.44Å |
| 22 | D | 64.5 | Low | 67.1 | Low | 153 Ų | 153 | 133 Ų | 133 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 1.9 | -179.5 | -68.5 | -35.8 | 0 | 0 | 0 | 114.5 | D20 | D20-D22 PolarHBondContact O-N 3.04Š|
| 23 | D | 76.9 | Confident | 67.7 | Low | 66 Ų | 66 | 124.5 Ų | 124.5 | 35% | 0.353 | 67% | 0.67 | S | S | . | * | trans | -80.7 | 121.2 | -173.6 | -137.8 | -8.8 | 0 | 0 | 0 | 110.9 | F19 D20 K25 A26 | F19-D23 HydrophobicContact CB-CB 4.02Å; F19-D23 WeakPolarHBondContact CD1-OD2 3.37Å; D20-D23 WeakPolarHBondContact O-CB 3.43Å; D20-D23 PolarHBondContact O-N 2.93Å; D23-K25 PolarHBondContact O-N 2.86Å; D23-A26 VanDerWaalsContact O-CB 3.3Å; D23-A26 WeakPolarHBondContact O-CB 3.27Å; D23-A26 PolarHBondContact O-N 2.94Å | ||
| 24 | P | 70.2 | Confident | 68.5 | Low | 103 Ų | 103 | 125.1 Ų | 125.1 | 67% | 0.669 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -16 | -169.7 | 23.6 | -35.3 | 0 | 0 | 0 | 114.3 | ||
| 25 | K | 71.5 | Confident | 69.1 | Low | 156 Ų | 156 | 123.5 Ų | 123.5 | 68% | 0.678 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -21.5 | 174.9 | -69.2 | 177.4 | -177.5 | 169.1 | 0 | 113.1 | F19 D23 Y27 G28 | F19-K25 HydrophobicContact CE1-CD 4.44Å; D23-K25 PolarHBondContact O-N 2.86Å; K25-Y27 VanDerWaalsContact C-N 3.26Å; K25-Y27 PolarHBondContact O-N 3.49Å; K25-G28 PolarHBondContact O-N 2.86Å |
| 26 | A | 65.7 | Low | 69.9 | Low | 45 Ų | 45 | 127.5 Ų | 127.5 | 37% | 0.372 | 66% | 0.663 | S | S | . | * | G | 310 helix | trans | -67.3 | -30.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | F19 D23 | F19-A26 HydrophobicContact CB-CB 4.26Å; D23-A26 VanDerWaalsContact O-CB 3.3Å; D23-A26 WeakPolarHBondContact O-CB 3.27Å; D23-A26 PolarHBondContact O-N 2.94Å |
| 27 | Y | 68.1 | Low | 70.5 | Confident | 124 Ų | 124 | 123.1 Ų | 123.1 | 49% | 0.486 | 64% | 0.637 | S | S | . | * | G | 310 helix | trans | -85.4 | -10.5 | -177.6 | -61.6 | -93 | 0 | 0 | 0 | 113.7 | E21 K25 N29 M30 | E21-Y27 WeakPolarHBondContact O-CE2 3.41Å; E21-Y27 PolarHBondContact O-OH 3.44Å; K25-Y27 VanDerWaalsContact C-N 3.26Å; K25-Y27 PolarHBondContact O-N 3.49Å; Y27-N29 VanDerWaalsContact C-N 3.26Å; Y27-N29 PolarHBondContact O-N 3.38Å; Y27-M30 HydrophobicContact CD1-CE 3.11Å; Y27-M30 HydrophobicContact CE1-CE 3.63Å; Y27-M30 HydrophobicContact CG-CE 3.95Å; Y27-M30 PolarHBondContact O-N 2.87Å |
| 28 | G | 69.7 | Low | 70.7 | Confident | 64 Ų | 64 | 119.8 Ų | 119.8 | 66% | 0.66 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -68.6 | -18.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | K25 | K25-G28 PolarHBondContact O-N 2.86Š|
| 29 | N | 71.5 | Confident | 71.1 | Confident | 161 Ų | 161 | 117.6 Ų | 117.6 | 86% | 0.861 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -101 | 2.1 | 178.1 | -70.8 | -38.5 | 0 | 0 | 0 | 113.4 | Y27 | Y27-N29 VanDerWaalsContact C-N 3.26Å; Y27-N29 PolarHBondContact O-N 3.38Å |
| 30 | M | 71.6 | Confident | 71.5 | Confident | 112 Ų | 112 | 117.9 Ų | 117.9 | 55% | 0.552 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -77.4 | 133.8 | 175.4 | -82.7 | -165.3 | -89.5 | 0 | 0 | 110.5 | Y27 V32 | Y27-M30 HydrophobicContact CD1-CE 3.11Å; Y27-M30 HydrophobicContact CE1-CE 3.63Å; Y27-M30 HydrophobicContact CG-CE 3.95Å; Y27-M30 PolarHBondContact O-N 2.87Å; M30-V32 PolarHBondContact O-N 3.2Å |
| 31 | P | 72.9 | Confident | 71.9 | Confident | 117 Ų | 117 | 119.3 Ų | 119.3 | 76% | 0.76 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 124.6 | 174.2 | 26.7 | -31.5 | 0 | 0 | 0 | 108.8 | P33 | P31-P33 VanDerWaalsContact O-CD 3.28Å; P31-P33 WeakPolarHBondContact O-CD 3.31Å |
| 32 | V | 73.3 | Confident | 72.8 | Confident | 132 Ų | 132 | 115.5 Ų | 115.5 | 80% | 0.8 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 117.8 | 174.4 | 180 | 0 | 0 | 0 | 0 | 107.7 | M30 | M30-V32 PolarHBondContact O-N 3.2Š|
| 33 | P | 71.5 | Confident | 73.7 | Confident | 55 Ų | 55 | 113.4 Ų | 113.4 | 36% | 0.357 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -63.6 | 143.5 | 179.8 | -21.4 | 33.8 | 0 | 0 | 0 | 111.4 | P31 K35 F40 | P31-P33 VanDerWaalsContact O-CD 3.28Å; P31-P33 WeakPolarHBondContact O-CD 3.31Å; P33-K35 PolarHBondContact O-N 3.13Å; P33-F40 HydrophobicContact CB-CB 4.41Å |
| 34 | D | 74.9 | Confident | 73.9 | Confident | 132 Ų | 132 | 118.9 Ų | 118.9 | 71% | 0.706 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 132.6 | 176.8 | -83.8 | -27 | 0 | 0 | 0 | 110.2 | R36 S37 | D34-R36 PolarHBondContact O-N 3.49Å; D34-S37 WeakPolarHBondContact O-CB 3.06Å; D34-S37 PolarHBondContact O-N 3.22Å; D34-S37 PolarHBondContact O-OG 3.16Å |
| 35 | K | 74.6 | Confident | 74.4 | Confident | 161 Ų | 161 | 119.4 Ų | 119.4 | 70% | 0.7 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -9 | -176.2 | -64.4 | -177.6 | 178.8 | -177.8 | 0 | 115.5 | P33 Y41 | P33-K35 PolarHBondContact O-N 3.13Å; K35-Y41 WeakPolarHBondContact O-CE2 3.26Å |
| 36 | R | 74.5 | Confident | 75.3 | Confident | 246 Ų | 246 | 115.3 Ų | 115.3 | 93% | 0.928 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | -5.9 | 176.4 | -72 | -177.1 | 175.2 | 167 | -2 | 113.1 | D34 | D34-R36 PolarHBondContact O-N 3.49Š|
| 37 | S | 77.5 | Confident | 76.4 | Confident | 33 Ų | 33 | 117.3 Ų | 117.3 | 23% | 0.231 | 59% | 0.591 | C | S | . | * | S | Bend | trans | -78.6 | 148 | 177.1 | 69.3 | 0 | 0 | 0 | 0 | 110.3 | D34 E39 F40 | D34-S37 WeakPolarHBondContact O-CB 3.06Å; D34-S37 PolarHBondContact O-N 3.22Å; D34-S37 PolarHBondContact O-OG 3.16Å; S37-E39 PolarHBondContact O-N 3.15Å; S37-F40 WeakPolarHBondContact O-CB 3.32Å; S37-F40 PolarHBondContact O-N 3.44Å |
| 38 | S | 71.6 | Confident | 77.5 | Confident | 76 Ų | 76 | 117.6 Ų | 117.6 | 53% | 0.531 | 60% | 0.595 | S | S | . | * | G | 310 helix | trans | -63 | -28.2 | 175.2 | 49.2 | 0 | 0 | 0 | 0 | 112.2 | F40 Y41 K42 | S38-F40 PolarHBondContact O-N 2.88Å; S38-Y41 PolarHBondContact O-N 3.03Å; S38-K42 WeakPolarHBondContact O-CB 3.43Å; S38-K42 PolarHBondContact O-N 3.38Å |
| 39 | E | 72.4 | Confident | 78.3 | Confident | 139 Ų | 139 | 119.4 Ų | 119.4 | 65% | 0.65 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -64.4 | -16.8 | 176.4 | -62.7 | 177 | -179.7 | 0 | 0 | 113.2 | S37 | S37-E39 PolarHBondContact O-N 3.15Š|
| 40 | F | 78.7 | Confident | 79.2 | Confident | 96 Ų | 96 | 115.1 Ų | 115.1 | 42% | 0.421 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -82.6 | -23.9 | 173.5 | -175.2 | -98.3 | 0 | 0 | 0 | 112.9 | P33 S37 S38 | P33-F40 HydrophobicContact CB-CB 4.41Å; S37-F40 WeakPolarHBondContact O-CB 3.32Å; S37-F40 PolarHBondContact O-N 3.44Å; S38-F40 PolarHBondContact O-N 2.88Å |
| 41 | Y | 76.2 | Confident | 80.1 | Confident | 163 Ų | 163 | 115.3 Ų | 115.3 | 64% | 0.639 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | -21.2 | -173.6 | -70 | -74.5 | 0 | 0 | 0 | 113.9 | K35 S38 | K35-Y41 WeakPolarHBondContact O-CE2 3.26Å; S38-Y41 PolarHBondContact O-N 3.03Å |
| 42 | K | 80.9 | Confident | 80.7 | Confident | 91 Ų | 91 | 115.7 Ų | 115.7 | 40% | 0.396 | 55% | 0.553 | S | S | . | * | trans | -116 | 114.1 | -179.4 | -62.4 | -169.3 | 175.3 | -160.1 | 0 | 108.6 | S38 D46 E47 D50 | S38-K42 WeakPolarHBondContact O-CB 3.43Å; S38-K42 PolarHBondContact O-N 3.38Å; K42-D46 HydrophobicContact CB-CB 4.27Å; K42-E47 HydrophobicContact CB-CG 4.4Å; K42-D50 IonicContact NZ-OD2 2.72Å; K42-D50 PolarHBondContact NZ-OD2 3.39Å | ||
| 43 | D | 82.8 | Confident | 81.3 | Confident | 109 Ų | 109 | 114.3 Ų | 114.3 | 58% | 0.583 | 54% | 0.54 | S | S | * | . | trans | -79.7 | 167.8 | 170.2 | -74.1 | -15.6 | 0 | 0 | 0 | 109.9 | I45 D46 E47 | D43-I45 PolarHBondContact O-N 3.38Å; D43-D46 PolarHBondContact N-OD2 3.15Å; D43-D46 WeakPolarHBondContact O-CB 3.23Å; D43-D46 PolarHBondContact O-N 2.95Å; D43-E47 PolarHBondContact O-N 3.37Å | ||
| 44 | K | 82.1 | Confident | 82.1 | Confident | 182 Ų | 182 | 114.4 Ų | 114.4 | 79% | 0.791 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -57.4 | -24.1 | 178.2 | -65.9 | 177.5 | -179.5 | 171.6 | 0 | 113.5 | F48 | K44-F48 PolarHBondContact O-N 2.82Å |
| 45 | I | 81.6 | Confident | 82.6 | Confident | 114 Ų | 114 | 115.2 Ų | 115.2 | 59% | 0.585 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -74.7 | -43.2 | 175.6 | -61.4 | 173.6 | 0 | 0 | 0 | 109.4 | D43 E47 F48 H49 | D43-I45 PolarHBondContact O-N 3.38Å; I45-E47 VanDerWaalsContact C-N 3.33Å; I45-E47 PolarHBondContact O-N 3.22Å; I45-F48 WeakPolarHBondContact O-CB 3.43Å; I45-F48 PolarHBondContact O-N 3.45Å; I45-H49 PolarHBondContact O-CD2 3.24Å; I45-H49 PolarHBondContact O-N 2.85Å |
| 46 | D | 88.7 | Confident | 82.6 | Confident | 70 Ų | 70 | 112.3 Ų | 112.3 | 37% | 0.374 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 178.3 | -56.6 | -39.8 | 0 | 0 | 0 | 111.1 | K42 D43 F48 H49 D50 | K42-D46 HydrophobicContact CB-CB 4.27Å; D43-D46 PolarHBondContact N-OD2 3.15Å; D43-D46 WeakPolarHBondContact O-CB 3.23Å; D43-D46 PolarHBondContact O-N 2.95Å; D46-F48 VanDerWaalsContact C-N 3.33Å; D46-F48 PolarHBondContact O-N 3.38Å; D46-H49 PolarHBondContact O-N 3.34Å; D46-D50 WeakPolarHBondContact O-CB 3.24Å; D46-D50 PolarHBondContact O-N 3.46Å |
| 47 | E | 89 | Confident | 82.8 | Confident | 87 Ų | 87 | 107.5 Ų | 107.5 | 41% | 0.407 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 174.1 | -67.6 | -177.7 | 160.2 | 0 | 0 | 112.1 | K42 D43 I45 H49 D50 E51 | K42-E47 HydrophobicContact CB-CG 4.4Å; D43-E47 PolarHBondContact O-N 3.37Å; I45-E47 VanDerWaalsContact C-N 3.33Å; I45-E47 PolarHBondContact O-N 3.22Å; E47-H49 VanDerWaalsContact C-N 3.34Å; E47-H49 PolarHBondContact O-N 3.39Å; E47-D50 PolarHBondContact O-N 3.42Å; E47-E51 WeakPolarHBondContact O-CB 3.39Å; E47-E51 WeakPolarHBondContact O-CG 3.36Å; E47-E51 PolarHBondContact O-N 2.85Å |
| 48 | F | 91.3 | Very high | 82.8 | Confident | 129 Ų | 129 | 110.1 Ų | 110.1 | 57% | 0.566 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64 | -39.3 | 176.6 | 178.3 | -100.7 | 0 | 0 | 0 | 112.3 | K44 I45 D46 K52 | K44-F48 PolarHBondContact O-N 2.82Å; I45-F48 WeakPolarHBondContact O-CB 3.43Å; I45-F48 PolarHBondContact O-N 3.45Å; D46-F48 VanDerWaalsContact C-N 3.33Å; D46-F48 PolarHBondContact O-N 3.38Å; F48-K52 WeakPolarHBondContact O-CB 3.28Å; F48-K52 PolarHBondContact O-N 3.45Å |
| 49 | H | 87.8 | Confident | 82.9 | Confident | 102 Ų | 102 | 114.1 Ų | 114.1 | 47% | 0.472 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -70.9 | -42 | 178.3 | -75.6 | -127.6 | 0 | 0 | 0 | 111.1 | I45 D46 E47 E51 K52 I53 | I45-H49 PolarHBondContact O-CD2 3.24Å; I45-H49 PolarHBondContact O-N 2.85Å; D46-H49 PolarHBondContact O-N 3.34Å; E47-H49 VanDerWaalsContact C-N 3.34Å; E47-H49 PolarHBondContact O-N 3.39Å; H49-E51 PolarHBondContact O-N 2.82Å; H49-K52 WeakPolarHBondContact O-CB 3.37Å; H49-K52 PolarHBondContact O-N 2.91Å; H49-I53 WeakPolarHBondContact O-CD1 3.39Å; H49-I53 WeakPolarHBondContact O-CG1 3.44Å; H49-I53 PolarHBondContact O-N 3.13Å |
| 50 | D | 89.6 | Confident | 82 | Confident | 72 Ų | 72 | 110.2 Ų | 110.2 | 39% | 0.385 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.4 | -43.5 | 174.7 | -78.7 | -9.7 | 0 | 0 | 0 | 111.5 | K42 D46 E47 K52 I53 A54 | K42-D50 IonicContact NZ-OD2 2.72Å; K42-D50 PolarHBondContact NZ-OD2 3.39Å; D46-D50 WeakPolarHBondContact O-CB 3.24Å; D46-D50 PolarHBondContact O-N 3.46Å; E47-D50 PolarHBondContact O-N 3.42Å; D50-K52 VanDerWaalsContact C-N 3.34Å; D50-K52 PolarHBondContact O-N 2.92Å; D50-I53 PolarHBondContact O-N 2.94Å; D50-A54 WeakPolarHBondContact O-CB 3.23Å; D50-A54 PolarHBondContact O-N 3.11Å |
| 51 | E | 89.6 | Confident | 80.6 | Confident | 115 Ų | 115 | 110.7 Ų | 110.7 | 54% | 0.537 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.9 | -37.5 | 175.7 | -76.8 | -173.8 | -176.6 | 0 | 0 | 112.8 | E47 H49 K55 | E47-E51 WeakPolarHBondContact O-CB 3.39Å; E47-E51 WeakPolarHBondContact O-CG 3.36Å; E47-E51 PolarHBondContact O-N 2.85Å; H49-E51 PolarHBondContact O-N 2.82Å; E51-K55 WeakPolarHBondContact O-CB 3.35Å; E51-K55 WeakPolarHBondContact O-CG 3.44Å; E51-K55 PolarHBondContact O-N 3.39Å |
| 52 | K | 86.5 | Confident | 79 | Confident | 126 Ų | 126 | 110.8 Ų | 110.8 | 55% | 0.548 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.6 | -43.8 | 175.4 | -173.7 | -179.3 | 178.8 | -175.4 | 0 | 110.7 | F48 H49 D50 K55 L56 | F48-K52 WeakPolarHBondContact O-CB 3.28Å; F48-K52 PolarHBondContact O-N 3.45Å; H49-K52 WeakPolarHBondContact O-CB 3.37Å; H49-K52 PolarHBondContact O-N 2.91Å; D50-K52 VanDerWaalsContact C-N 3.34Å; D50-K52 PolarHBondContact O-N 2.92Å; K52-K55 PolarHBondContact O-N 3.1Å; K52-L56 HydrophobicContact CG-CD1 4.43Å; K52-L56 WeakPolarHBondContact O-CG 3.31Å; K52-L56 PolarHBondContact O-N 3.39Å |
| 53 | I | 84.8 | Confident | 77.2 | Confident | 102 Ų | 102 | 115.3 Ų | 115.3 | 52% | 0.523 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.5 | -44.8 | 176.9 | -67.4 | 162.8 | 0 | 0 | 0 | 110.4 | H49 D50 K55 L56 L57 | H49-I53 WeakPolarHBondContact O-CD1 3.39Å; H49-I53 WeakPolarHBondContact O-CG1 3.44Å; H49-I53 PolarHBondContact O-N 3.13Å; D50-I53 PolarHBondContact O-N 2.94Å; I53-K55 VanDerWaalsContact C-N 3.33Å; I53-K55 PolarHBondContact O-N 3.4Å; I53-L56 PolarHBondContact O-N 2.76Å; I53-L57 WeakPolarHBondContact O-CB 3.24Å; I53-L57 PolarHBondContact O-N 3.34Å |
| 54 | A | 88.2 | Confident | 74.7 | Confident | 58 Ų | 58 | 118.8 Ų | 118.8 | 48% | 0.479 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -61.8 | -39.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D50 L57 A58 | D50-A54 WeakPolarHBondContact O-CB 3.23Å; D50-A54 PolarHBondContact O-N 3.11Å; A54-L57 PolarHBondContact O-N 3.43Å; A54-A58 VanDerWaalsContact O-CB 3.28Å; A54-A58 WeakPolarHBondContact O-CB 3.5Å; A54-A58 PolarHBondContact O-N 3.47Å |
| 55 | K | 86.4 | Confident | 72.6 | Confident | 148 Ų | 148 | 114.4 Ų | 114.4 | 64% | 0.643 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.4 | -40 | 173.7 | -82.5 | 171.7 | -177.1 | 154.3 | 0 | 112.6 | E51 K52 I53 A58 H59 | E51-K55 WeakPolarHBondContact O-CB 3.35Å; E51-K55 WeakPolarHBondContact O-CG 3.44Å; E51-K55 PolarHBondContact O-N 3.39Å; K52-K55 PolarHBondContact O-N 3.1Å; I53-K55 VanDerWaalsContact C-N 3.33Å; I53-K55 PolarHBondContact O-N 3.4Å; K55-A58 PolarHBondContact O-N 2.9Å; K55-H59 WeakPolarHBondContact O-CB 3.47Å; K55-H59 PolarHBondContact O-N 2.8Å |
| 56 | L | 75.1 | Confident | 70.8 | Confident | 100 Ų | 100 | 116.1 Ų | 116.1 | 52% | 0.524 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.6 | -39.1 | 176.5 | -72.7 | 170.2 | 0 | 0 | 0 | 111.9 | K52 I53 H59 | K52-L56 HydrophobicContact CG-CD1 4.43Å; K52-L56 WeakPolarHBondContact O-CG 3.31Å; K52-L56 PolarHBondContact O-N 3.39Å; I53-L56 PolarHBondContact O-N 2.76Å; L56-H59 PolarHBondContact O-N 3.49Å |
| 57 | L | 77.9 | Confident | 68.3 | Low | 145 Ų | 145 | 118.8 Ų | 118.8 | 76% | 0.759 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.1 | -41.6 | 176.4 | -152.9 | 78.6 | 0 | 0 | 0 | 111.7 | I53 A54 H59 G60 | I53-L57 WeakPolarHBondContact O-CB 3.24Å; I53-L57 PolarHBondContact O-N 3.34Å; A54-L57 PolarHBondContact O-N 3.43Å; L57-H59 VanDerWaalsContact C-N 3.26Å; L57-H59 PolarHBondContact O-N 3.05Å; L57-G60 PolarHBondContact O-N 3.24Å |
| 58 | A | 77.6 | Confident | 66.2 | Low | 89 Ų | 89 | 122.8 Ų | 122.8 | 74% | 0.736 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -67.8 | -25.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | A54 K55 G60 | A54-A58 VanDerWaalsContact O-CB 3.28Å; A54-A58 WeakPolarHBondContact O-CB 3.5Å; A54-A58 PolarHBondContact O-N 3.47Å; K55-A58 PolarHBondContact O-N 2.9Å; A58-G60 PolarHBondContact O-N 3.02Å |
| 59 | H | 73.5 | Confident | 63.6 | Low | 159 Ų | 159 | 124.4 Ų | 124.4 | 74% | 0.736 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -2.4 | 175 | -149.9 | 51.6 | 0 | 0 | 0 | 113.2 | K55 L56 L57 V61 | K55-H59 WeakPolarHBondContact O-CB 3.47Å; K55-H59 PolarHBondContact O-N 2.8Å; L56-H59 PolarHBondContact O-N 3.49Å; L57-H59 VanDerWaalsContact C-N 3.26Å; L57-H59 PolarHBondContact O-N 3.05Å; H59-V61 PolarHBondContact O-N 3.44Å |
| 60 | G | 53 | Low | 61.2 | Low | 57 Ų | 57 | 126.9 Ų | 126.9 | 59% | 0.588 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.9 | 33.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L57 A58 Q62 | L57-G60 PolarHBondContact O-N 3.24Å; A58-G60 PolarHBondContact O-N 3.02Å; G60-Q62 PolarHBondContact O-N 2.66Å; G60-Q62 VanDerWaalsContact O-N 3.13Å |
| 61 | V | 50.7 | Low | 59 | Low | 106 Ų | 106 | 130 Ų | 130 | 64% | 0.642 | 69% | 0.693 | S | S | * | * | trans | -70.6 | 108 | 170.6 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | H59 M63 | H59-V61 PolarHBondContact O-N 3.44Å; V61-M63 PolarHBondContact O-N 2.92Å | ||
| 62 | Q | 41.7 | Very low | 56.6 | Low | 166 Ų | 166 | 131.4 Ų | 131.4 | 78% | 0.776 | 70% | 0.704 | S | S | * | * | trans | -57.4 | 122.5 | 165.7 | -78 | 171.4 | -43.9 | 0 | 0 | 107.8 | G60 E64 | G60-Q62 PolarHBondContact O-N 2.66Å; G60-Q62 VanDerWaalsContact O-N 3.13Å; Q62-E64 PolarHBondContact O-N 3.01Å | ||
| 63 | M | 44.2 | Very low | 54.3 | Low | 186 Ų | 186 | 133.4 Ų | 133.4 | 92% | 0.916 | 72% | 0.716 | S | S | * | * | trans | -66.8 | 85.8 | 166 | -85.1 | -110.4 | -145.7 | 0 | 0 | 108 | V61 S65 | V61-M63 PolarHBondContact O-N 2.92Å; M63-S65 PolarHBondContact O-N 3.34Å | ||
| 64 | E | 30.2 | Very low | 52.1 | Low | 181 Ų | 181 | 137.3 Ų | 137.3 | 85% | 0.846 | 73% | 0.732 | S | S | * | * | trans | -68.9 | 104.5 | 156.1 | -74.3 | -179.1 | 163.5 | 0 | 0 | 107 | Q62 | Q62-E64 PolarHBondContact O-N 3.01Š| ||
| 65 | S | 38.2 | Very low | 49.7 | Very low | 91 Ų | 91 | 142.9 Ų | 142.9 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | trans | -87.7 | 129.7 | 169.1 | 60.1 | 0 | 0 | 0 | 0 | 110 | M63 | M63-S65 PolarHBondContact O-N 3.34Š| ||
| 66 | D | 41.9 | Very low | 47.4 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | trans | 70.8 | 79.4 | 171.2 | -81.6 | -17.3 | 0 | 0 | 0 | 117.6 | ||||
| 67 | V | 37.2 | Very low | 45.5 | Very low | 127 Ų | 127 | 145.2 Ų | 145.2 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | -98.8 | 125.4 | 122.3 | 177.8 | 0 | 0 | 0 | 0 | 105.2 | E69 | V67-E69 PolarHBondContact O-N 3.16Š| |||
| 68 | E | 44.6 | Very low | 43.5 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | -59.3 | 86.3 | 166.6 | -70.6 | -166.8 | 166.8 | 0 | 0 | 108.9 | L70 | E68-L70 PolarHBondContact O-N 3.42Š| ||
| 69 | E | 37.6 | Very low | 41.4 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | -74.8 | 100.3 | 160.8 | -93 | -179.2 | 166.7 | 0 | 0 | 106.5 | V67 D71 | V67-E69 PolarHBondContact O-N 3.16Å; E69-D71 VanDerWaalsContact C-N 3.3Å; E69-D71 PolarHBondContact O-N 3.42Å | ||
| 70 | L | 37.4 | Very low | 39.1 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | trans | -51.7 | 97.8 | 161.4 | -68.8 | 164.2 | 0 | 0 | 0 | 108.9 | E68 D72 | E68-L70 PolarHBondContact O-N 3.42Å; L70-D72 PolarHBondContact O-N 3.2Å | ||
| 71 | D | 43.2 | Very low | 38 | Very low | 138 Ų | 138 | 148.3 Ų | 148.3 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | 42.2 | 63 | 143.3 | -149.9 | 25.5 | 0 | 0 | 0 | 114.8 | E69 E73 | E69-D71 VanDerWaalsContact C-N 3.3Å; E69-D71 PolarHBondContact O-N 3.42Å; D71-E73 PolarHBondContact O-N 3.38Å | ||
| 72 | D | 38.4 | Very low | 36.8 | Very low | 144 Ų | 144 | 147.4 Ų | 147.4 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | -90.4 | 76.9 | 166.1 | -84.1 | -28 | 0 | 0 | 0 | 108.3 | L70 E74 | L70-D72 PolarHBondContact O-N 3.2Å; D72-E74 PolarHBondContact O-N 3.09Å | ||
| 73 | E | 38.8 | Very low | 36.2 | Very low | 169 Ų | 169 | 148 Ų | 148 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -60.8 | 120 | 160.3 | -74 | -172.8 | 162.3 | 0 | 0 | 109 | D71 E75 | D71-E73 PolarHBondContact O-N 3.38Å; E73-E75 PolarHBondContact O-N 3.06Å | ||
| 74 | E | 39 | Very low | 35.3 | Very low | 184 Ų | 184 | 143.9 Ų | 143.9 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -62.1 | 107.9 | -179.8 | -167.7 | 175.7 | -152.1 | 0 | 0 | 110.9 | D72 | D72-E74 PolarHBondContact O-N 3.09Š| ||
| 75 | E | 38.1 | Very low | 35.4 | Very low | 175 Ų | 175 | 143.8 Ų | 143.8 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -119.9 | 118.9 | 163.6 | -82.3 | -166.8 | 170.4 | 0 | 0 | 112.4 | E73 | E73-E75 PolarHBondContact O-N 3.06Š| ||
| 76 | V | 36.5 | Very low | 34.9 | Very low | 134 Ų | 134 | 148.3 Ų | 148.3 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | trans | -60.4 | 137.7 | -173.7 | -176 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 77 | M | 35.8 | Very low | 34.5 | Very low | 162 Ų | 162 | 150 Ų | 150 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | trans | -50.1 | 139.8 | 173.2 | -81.9 | -103.2 | -70 | 0 | 0 | 113.4 | ||||
| 78 | A | 35.9 | Very low | 34.1 | Very low | 81 Ų | 81 | 153.3 Ų | 153.3 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | trans | -137.8 | 138.9 | 150.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 79 | L | 33.1 | Very low | 33.2 | Very low | 137 Ų | 137 | 152.9 Ų | 152.9 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | trans | -78.8 | 154.1 | -166.7 | -74.3 | 148 | 0 | 0 | 0 | 112.7 | ||||
| 80 | D | 26.5 | Very low | 32.9 | Very low | 139 Ų | 139 | 152.6 Ų | 152.6 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | 28.2 | 142.9 | 151.4 | -89.9 | -27 | 0 | 0 | 0 | 125.3 | ||||
| 81 | E | 28.6 | Very low | 32.5 | Very low | 158 Ų | 158 | 154.3 Ų | 154.3 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | trans | 93.9 | 116.8 | 135.9 | -87.2 | 175.2 | 162.1 | 0 | 0 | 122.5 | ||||
| 82 | S | 24.9 | Very low | 32 | Very low | 88 Ų | 88 | 156.9 Ų | 156.9 | 62% | 0.615 | 79% | 0.791 | S | S | * | * | trans | 63.7 | 156 | 139.2 | 69.5 | 0 | 0 | 0 | 0 | 119.2 | K450 | S82-K450 PolarHBondContact O-NZ 3.37Š| ||
| 83 | E | 29.6 | Very low | 31.5 | Very low | 179 Ų | 179 | 159.6 Ų | 159.6 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | cis | -171.8 | 171.5 | -31.6 | -170.5 | 164.4 | -147.3 | 0 | 0 | 103.9 | ||||
| 84 | S | 25.1 | Very low | 31.2 | Very low | 99 Ų | 99 | 160.9 Ų | 160.9 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | trans | 76.7 | 108.7 | 173.3 | 84.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 85 | E | 33.3 | Very low | 30.8 | Very low | 178 Ų | 178 | 157.1 Ų | 157.1 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | 67.3 | 127.5 | 75.9 | -64.8 | -179.1 | 176.4 | 0 | 0 | 110.5 | |||||
| 86 | E | 28.4 | Very low | 30.5 | Very low | 186 Ų | 186 | 158.4 Ų | 158.4 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | -162.6 | 172.9 | 57 | -75.8 | 174.6 | 152.4 | 0 | 0 | 112.9 | |||||
| 87 | E | 33.5 | Very low | 30.3 | Very low | 184 Ų | 184 | 155.9 Ų | 155.9 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -83.3 | 167.7 | -170.1 | -57.3 | 173 | 148.6 | 0 | 0 | 114.8 | ||||
| 88 | E | 27.8 | Very low | 30.1 | Very low | 198 Ų | 198 | 155.3 Ų | 155.3 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | 179.4 | 147.4 | 120.4 | -97.2 | 177.8 | -178.4 | 0 | 0 | 114.6 | |||||
| 89 | Q | 26.2 | Very low | 29.9 | Very low | 161 Ų | 161 | 158.6 Ų | 158.6 | 75% | 0.752 | 83% | 0.825 | S | S | * | * | trans | -78.8 | -179.1 | -175.8 | -72 | 170.3 | -54.8 | 0 | 0 | 113.4 | ||||
| 90 | E | 31.5 | Very low | 29.9 | Very low | 156 Ų | 156 | 161.2 Ų | 161.2 | 73% | 0.729 | 84% | 0.835 | S | S | * | * | cis | -170.3 | 170.4 | -15.8 | -105.9 | 171 | -155.2 | 0 | 0 | 106.2 | ||||
| 91 | E | 27.7 | Very low | 30.2 | Very low | 190 Ų | 190 | 163.3 Ų | 163.3 | 89% | 0.888 | 84% | 0.841 | S | S | * | * | trans | 139.9 | 138.4 | 133.5 | -72.5 | -168.5 | 170.5 | 0 | 0 | 116.3 | ||||
| 92 | E | 32.7 | Very low | 30.6 | Very low | 193 Ų | 193 | 161.3 Ų | 161.3 | 90% | 0.902 | 84% | 0.844 | S | S | * | * | trans | -107 | 158.9 | -171.7 | -65.2 | 177.7 | 149.3 | 0 | 0 | 112.2 | ||||
| 93 | E | 28.5 | Very low | 31 | Very low | 201 Ų | 201 | 164 Ų | 164 | 94% | 0.939 | 85% | 0.852 | S | S | * | * | trans | -147.5 | 142.4 | 153.7 | -79.1 | -160.6 | 161 | 0 | 0 | 112.7 | ||||
| 94 | E | 33.1 | Very low | 31.3 | Very low | 196 Ų | 196 | 162 Ų | 162 | 92% | 0.916 | 85% | 0.846 | S | S | * | * | trans | -90 | 161.9 | 176.9 | -70.9 | -165.2 | 148.8 | 0 | 0 | 114.1 | ||||
| 95 | A | 29.7 | Very low | 31.9 | Very low | 104 Ų | 104 | 165.7 Ų | 165.7 | 86% | 0.86 | 85% | 0.852 | S | S | * | * | trans | -150.8 | 131.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 96 | E | 31.7 | Very low | 31.9 | Very low | 203 Ų | 203 | 166 Ų | 166 | 95% | 0.949 | 85% | 0.854 | S | S | * | * | trans | -76.1 | 156.7 | 174.7 | -75.7 | -178 | 139.8 | 0 | 0 | 114.3 | ||||
| 97 | G | 33.1 | Very low | 32.5 | Very low | 81 Ų | 81 | 165.4 Ų | 165.4 | 84% | 0.835 | 85% | 0.848 | S | S | * | * | trans | -132.5 | 136.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 98 | T | 30.3 | Very low | 32.4 | Very low | 150 Ų | 150 | 166.2 Ų | 166.2 | 92% | 0.92 | 85% | 0.849 | S | S | * | * | trans | -87.6 | 155.7 | -173.9 | 51.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 99 | D | 33.1 | Very low | 33.3 | Very low | 150 Ų | 150 | 163.9 Ų | 163.9 | 80% | 0.802 | 84% | 0.838 | S | S | * | * | trans | -90.8 | 148.8 | -172.6 | -149.7 | 6.1 | 0 | 0 | 0 | 113.9 | ||||
| 100 | M | 33.2 | Very low | 34.2 | Very low | 191 Ų | 191 | 165.1 Ų | 165.1 | 94% | 0.941 | 84% | 0.844 | S | S | * | * | trans | -162.6 | 130.3 | 158 | -144.5 | 167.7 | -178.2 | 0 | 0 | 112.3 | ||||
| 101 | E | 32.8 | Very low | 34.8 | Very low | 183 Ų | 183 | 165.1 Ų | 165.1 | 86% | 0.855 | 85% | 0.849 | S | S | * | * | trans | -117.1 | 153.1 | -169.2 | -173.5 | 178.4 | -145 | 0 | 0 | 112.1 | ||||
| 102 | S | 35.7 | Very low | 36 | Very low | 116 Ų | 116 | 164.1 Ų | 164.1 | 81% | 0.811 | 85% | 0.849 | S | S | * | * | trans | 140.8 | 150.7 | 148.6 | 81 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 103 | D | 34.8 | Very low | 37.2 | Very low | 146 Ų | 146 | 160 Ų | 160 | 78% | 0.781 | 84% | 0.839 | S | S | * | * | cis | -177.7 | 164.2 | -22.9 | 179.7 | 22.4 | 0 | 0 | 0 | 104.6 | ||||
| 104 | L | 35.3 | Very low | 38.6 | Very low | 135 Ų | 135 | 154.1 Ų | 154.1 | 71% | 0.707 | 82% | 0.82 | S | S | * | * | trans | 91.2 | 94.2 | 160.6 | -130.3 | 92.8 | 0 | 0 | 0 | 119.3 | ||||
| 105 | E | 36.7 | Very low | 39.8 | Very low | 177 Ų | 177 | 154.1 Ų | 154.1 | 83% | 0.827 | 82% | 0.82 | S | S | * | * | 176.7 | 121.4 | 111 | -94.7 | 177.2 | -174.5 | 0 | 0 | 113.4 | |||||
| 106 | E | 35.3 | Very low | 41.5 | Very low | 184 Ų | 184 | 155.7 Ų | 155.7 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | 43.4 | 104 | 144.1 | -146.5 | 167.7 | -165.5 | 0 | 0 | 120.5 | K108 | E106-K108 PolarHBondContact O-N 3.31Š| ||
| 107 | K | 40.6 | Very low | 43.2 | Very low | 174 Ų | 174 | 148.8 Ų | 148.8 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | trans | -56.9 | 123.5 | 162.1 | -76.2 | -179.5 | 167.3 | -166.3 | 0 | 111.2 | E109 | K107-E109 IonicContact NZ-OE1 3.58Š| ||
| 108 | K | 31.5 | Very low | 44.4 | Very low | 201 Ų | 201 | 153.6 Ų | 153.6 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -101.4 | 114.1 | 141 | -76 | -178.8 | 180 | 174.4 | 0 | 107.3 | E106 | E106-K108 PolarHBondContact O-N 3.31Š| ||
| 109 | E | 46.5 | Very low | 46.2 | Very low | 150 Ų | 150 | 148.2 Ų | 148.2 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | -72.6 | 150.2 | 164 | -57 | -161.7 | 161.9 | 0 | 0 | 108 | K107 | K107-E109 IonicContact NZ-OE1 3.58Š| ||
| 110 | E | 45.2 | Very low | 48 | Very low | 186 Ų | 186 | 148.3 Ų | 148.3 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | trans | 95.4 | 51 | -172 | -53.2 | -172.8 | -172.3 | 0 | 0 | 117.1 | ||||
| 111 | D | 43.9 | Very low | 50.1 | Low | 157 Ų | 157 | 146.5 Ų | 146.5 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | trans | -154.1 | 92.8 | 135.1 | -88.8 | -37.2 | 0 | 0 | 0 | 106.8 | P113 | D111-P113 WeakPolarHBondContact O-CD 3.42Š| ||
| 112 | L | 53.1 | Low | 51.9 | Low | 168 Ų | 168 | 145.3 Ų | 145.3 | 88% | 0.88 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 124 | 163.3 | -76.9 | 157.5 | 0 | 0 | 0 | 106.4 | S114 | L112-S114 PolarHBondContact O-N 2.98Š|
| 113 | P | 56.6 | Low | 53.7 | Low | 107 Ų | 107 | 148.2 Ų | 148.2 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 138.9 | 171.8 | -21.3 | 31.4 | 0 | 0 | 0 | 108.4 | D111 E115 | D111-P113 WeakPolarHBondContact O-CD 3.42Å; P113-E115 PolarHBondContact O-N 2.75Å |
| 114 | S | 58.9 | Low | 55.3 | Low | 78 Ų | 78 | 147.6 Ų | 147.6 | 55% | 0.545 | 73% | 0.733 | S | S | . | * | P | Polyproline II helix | trans | -55.7 | 134.9 | 174.1 | 76.1 | 0 | 0 | 0 | 0 | 108.6 | L112 M116 A117 | L112-S114 PolarHBondContact O-N 2.98Å; S114-M116 PolarHBondContact O-N 2.94Å; S114-A117 PolarHBondContact O-N 3.28Å; S114-A117 WeakPolarHBondContact OG-CB 3.24Å; S114-A117 PolarHBondContact OG-N 3.32Å |
| 115 | E | 58.6 | Low | 56.8 | Low | 195 Ų | 195 | 145.9 Ų | 145.9 | 91% | 0.911 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | -12.9 | 176.9 | -68.8 | 171.1 | 169.8 | 0 | 0 | 112.7 | P113 | P113-E115 PolarHBondContact O-N 2.75Š|
| 116 | M | 64.8 | Low | 58.3 | Low | 137 Ų | 137 | 144.8 Ų | 144.8 | 68% | 0.675 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -12.1 | -179.8 | -161.2 | 65.6 | 162 | 0 | 0 | 114.1 | S114 W118 | S114-M116 PolarHBondContact O-N 2.94Å; M116-W118 PolarHBondContact O-N 3.42Å |
| 117 | A | 67.4 | Low | 59.4 | Low | 58 Ų | 58 | 141.8 Ų | 141.8 | 48% | 0.479 | 70% | 0.7 | S | S | . | * | trans | -88.4 | 102.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110 | S114 G119 | S114-A117 PolarHBondContact O-N 3.28Å; S114-A117 WeakPolarHBondContact OG-CB 3.24Å; S114-A117 PolarHBondContact OG-N 3.32Å; A117-G119 PolarHBondContact O-N 3.1Å | ||
| 118 | W | 59 | Low | 60.1 | Low | 183 Ų | 183 | 136.9 Ų | 136.9 | 69% | 0.693 | 68% | 0.684 | S | S | * | * | trans | -56.6 | 114 | 166.2 | -155.4 | -66 | 0 | 0 | 0 | 108.3 | M116 F125 | M116-W118 PolarHBondContact O-N 3.42Å; W118-F125 AromaticContact CD1-CD2 3.95Å; W118-F125 HydrophobicContact CD2-CD2 4.41Å; W118-F125 AromaticContact CE2-CD2 3.35Å; W118-F125 AromaticContact CE2-CE2 3.87Å; W118-F125 AromaticContact CZ2-CD2 3.48Å; W118-F125 HydrophobicContact CZ2-CD2 3.48Å; W118-F125 VanDerWaalsContact CZ2-CD2 3.48Å; W118-F125 AromaticContact CZ2-CE2 3.69Å; W118-F125 HydrophobicContact CZ2-CE2 3.69Å; W118-F125 HydrophobicContact CZ2-CG 4.11Å; W118-F125 AromaticContact NE1-CD2 3.09Å; W118-F125 AromaticContact NE1-CG 3.69Å | ||
| 119 | G | 68.2 | Low | 61.4 | Low | 37 Ų | 37 | 133.7 Ų | 133.7 | 38% | 0.381 | 68% | 0.677 | S | S | . | * | trans | -55.7 | 149.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A117 K121 | A117-G119 PolarHBondContact O-N 3.1Å; G119-K121 PolarHBondContact O-N 3.14Å | ||
| 120 | T | 70.4 | Confident | 61.7 | Low | 151 Ų | 151 | 136.2 Ų | 136.2 | 93% | 0.926 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -71.7 | -10.7 | -178.7 | 54.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 121 | K | 77.2 | Confident | 62.1 | Low | 153 Ų | 153 | 132.7 Ų | 132.7 | 67% | 0.665 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -90.6 | 126.7 | -177.7 | -65.7 | -179.8 | -178.1 | 176.2 | 0 | 110.5 | G119 K123 M124 | G119-K121 PolarHBondContact O-N 3.14Å; K121-K123 PolarHBondContact O-N 3.32Å; K121-K123 VanDerWaalsContact O-N 3.13Å; K121-M124 HydrophobicContact CB-CG 4.32Å; K121-M124 PolarHBondContact O-N 2.98Å |
| 122 | K | 70.8 | Confident | 62.8 | Low | 159 Ų | 159 | 131.1 Ų | 131.1 | 69% | 0.691 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -51.7 | -37.4 | 174.5 | -165.3 | 177.5 | 179.1 | -174.1 | 0 | 112 | M124 F125 Y126 | K122-M124 VanDerWaalsContact C-N 3.32Å; K122-M124 PolarHBondContact O-N 3.22Å; K122-F125 PolarHBondContact O-N 3.01Å; K122-F125 VanDerWaalsContact O-N 3.1Å; K122-Y126 HydrophobicContact CD-CE2 4.17Å; K122-Y126 HydrophobicContact CG-CD2 3.65Å; K122-Y126 HydrophobicContact CG-CE2 3.54Å; K122-Y126 VanDerWaalsContact O-CD2 3.29Å; K122-Y126 WeakPolarHBondContact O-CD2 3.46Å; K122-Y126 PolarHBondContact O-N 2.91Å |
| 123 | K | 72.6 | Confident | 62.6 | Low | 176 Ų | 176 | 127.1 Ų | 127.1 | 77% | 0.765 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -57.2 | -39 | 177.5 | -67.8 | -173.5 | 178 | -174.5 | 0 | 113 | K121 F125 Y126 N127 | K121-K123 PolarHBondContact O-N 3.32Å; K121-K123 VanDerWaalsContact O-N 3.13Å; K123-F125 VanDerWaalsContact C-N 3.32Å; K123-F125 PolarHBondContact O-N 3.02Å; K123-Y126 PolarHBondContact O-N 3.48Å; K123-N127 WeakPolarHBondContact O-CB 3.37Å; K123-N127 PolarHBondContact O-N 2.88Å |
| 124 | M | 69.9 | Low | 62.4 | Low | 134 Ų | 134 | 132 Ų | 132 | 66% | 0.66 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70.8 | -25.6 | 178.6 | -60.6 | -66.7 | -122.4 | 0 | 0 | 113.2 | K121 K122 | K121-M124 HydrophobicContact CB-CG 4.32Å; K121-M124 PolarHBondContact O-N 2.98Å; K122-M124 VanDerWaalsContact C-N 3.32Å; K122-M124 PolarHBondContact O-N 3.22Å |
| 125 | F | 65.6 | Low | 62.3 | Low | 99 Ų | 99 | 131.9 Ų | 131.9 | 43% | 0.434 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -76.7 | -32.9 | 177.3 | -175.8 | -79.2 | 0 | 0 | 0 | 112.2 | W118 K122 K123 | W118-F125 AromaticContact CD1-CD2 3.95Å; W118-F125 HydrophobicContact CD2-CD2 4.41Å; W118-F125 AromaticContact CE2-CD2 3.35Å; W118-F125 AromaticContact CE2-CE2 3.87Å; W118-F125 AromaticContact CZ2-CD2 3.48Å; W118-F125 HydrophobicContact CZ2-CD2 3.48Å; W118-F125 VanDerWaalsContact CZ2-CD2 3.48Å; W118-F125 AromaticContact CZ2-CE2 3.69Å; W118-F125 HydrophobicContact CZ2-CE2 3.69Å; W118-F125 HydrophobicContact CZ2-CG 4.11Å; W118-F125 AromaticContact NE1-CD2 3.09Å; W118-F125 AromaticContact NE1-CG 3.69Å; K122-F125 PolarHBondContact O-N 3.01Å; K122-F125 VanDerWaalsContact O-N 3.1Å; K123-F125 VanDerWaalsContact C-N 3.32Å; K123-F125 PolarHBondContact O-N 3.02Å |
| 126 | Y | 67.6 | Low | 62.6 | Low | 154 Ų | 154 | 127.7 Ų | 127.7 | 60% | 0.604 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -103.7 | -7.7 | -177 | -67.6 | -82.9 | 0 | 0 | 0 | 113.8 | K122 K123 T128 | K122-Y126 HydrophobicContact CD-CE2 4.17Å; K122-Y126 HydrophobicContact CG-CD2 3.65Å; K122-Y126 HydrophobicContact CG-CE2 3.54Å; K122-Y126 VanDerWaalsContact O-CD2 3.29Å; K122-Y126 WeakPolarHBondContact O-CD2 3.46Å; K122-Y126 PolarHBondContact O-N 2.91Å; K123-Y126 PolarHBondContact O-N 3.48Å; Y126-T128 PolarHBondContact O-N 2.96Å |
| 127 | N | 58.5 | Low | 62.7 | Low | 121 Ų | 121 | 124.3 Ų | 124.3 | 65% | 0.647 | 64% | 0.636 | S | S | * | * | trans | -83.2 | 68.8 | 171.5 | -156 | 38.4 | 0 | 0 | 0 | 108.5 | K123 | K123-N127 WeakPolarHBondContact O-CB 3.37Å; K123-N127 PolarHBondContact O-N 2.88Å | ||
| 128 | T | 56.6 | Low | 62.7 | Low | 70 Ų | 70 | 127.7 Ų | 127.7 | 43% | 0.429 | 64% | 0.642 | S | S | . | * | trans | -89.1 | 127.6 | 171.3 | 60.3 | 0 | 0 | 0 | 0 | 108.1 | Y126 Y130 | Y126-T128 PolarHBondContact O-N 2.96Å; T128-Y130 VanDerWaalsContact CB-CD2 3.41Å; T128-Y130 HydrophobicContact CG2-CD2 4.12Å; T128-Y130 HydrophobicContact CG2-CE2 4.23Å; T128-Y130 PolarHBondContact O-N 3.26Å | ||
| 129 | D | 57 | Low | 63.4 | Low | 135 Ų | 135 | 126.9 Ų | 126.9 | 72% | 0.722 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 9.6 | 179 | -73.3 | -41.4 | 0 | 0 | 0 | 114.5 | V131 | D129-V131 PolarHBondContact O-N 2.84Š|
| 130 | Y | 54.2 | Low | 63.5 | Low | 203 Ų | 203 | 130 Ų | 130 | 80% | 0.796 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -5.7 | 176.3 | -63.3 | -61.6 | 0 | 0 | 0 | 114.9 | T128 V132 | T128-Y130 VanDerWaalsContact CB-CD2 3.41Å; T128-Y130 HydrophobicContact CG2-CD2 4.12Å; T128-Y130 HydrophobicContact CG2-CE2 4.23Å; T128-Y130 PolarHBondContact O-N 3.26Å; Y130-V132 PolarHBondContact O-N 3.39Å; Y130-V132 VanDerWaalsContact O-N 3.12Å |
| 131 | V | 53.8 | Low | 63.3 | Low | 111 Ų | 111 | 126.2 Ų | 126.2 | 67% | 0.673 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -82.7 | 88.7 | 169.3 | -174.1 | 0 | 0 | 0 | 0 | 108.1 | D129 T133 | D129-V131 PolarHBondContact O-N 2.84Å; V131-T133 VanDerWaalsContact C-N 3.29Å; V131-T133 PolarHBondContact O-N 3.4Å |
| 132 | V | 57 | Low | 63.2 | Low | 124 Ų | 124 | 122 Ų | 122 | 75% | 0.752 | 61% | 0.609 | S | S | * | * | trans | -56.9 | 94.2 | 167.4 | 179.4 | 0 | 0 | 0 | 0 | 108.2 | Y130 K134 | Y130-V132 PolarHBondContact O-N 3.39Å; Y130-V132 VanDerWaalsContact O-N 3.12Å; V132-K134 PolarHBondContact O-N 3.16Å | ||
| 133 | T | 49.3 | Very low | 63.6 | Low | 84 Ų | 84 | 116.3 Ų | 116.3 | 52% | 0.515 | 59% | 0.592 | S | S | . | * | trans | -68.3 | 100.8 | 166.5 | 51.5 | 0 | 0 | 0 | 0 | 105.9 | V131 G135 | V131-T133 VanDerWaalsContact C-N 3.29Å; V131-T133 PolarHBondContact O-N 3.4Å; T133-G135 PolarHBondContact O-N 3.37Å | ||
| 134 | K | 53.2 | Low | 63.8 | Low | 210 Ų | 210 | 111.1 Ų | 111.1 | 91% | 0.913 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.3 | 97.1 | 178.5 | -75 | 179.3 | 176.1 | 176 | 0 | 109.4 | V132 | V132-K134 PolarHBondContact O-N 3.16Š|
| 135 | G | 56.9 | Low | 64.1 | Low | 75 Ų | 75 | 110.3 Ų | 110.3 | 77% | 0.773 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 148.6 | 7.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | T133 | T133-G135 PolarHBondContact O-N 3.37Š|
| 136 | R | 64.2 | Low | 64.9 | Low | 107 Ų | 107 | 111.4 Ų | 111.4 | 40% | 0.404 | 57% | 0.571 | S | S | . | * | trans | -67.8 | 142.1 | 173.4 | -66.7 | -167.5 | -170.9 | -159.7 | 3 | 111.7 | L141 E144 | R136-L141 HydrophobicContact CB-CD2 4.22Å; R136-L141 HydrophobicContact CB-CG 4.39Å; R136-E144 IonicContact CZ-OE1 3.73Å; R136-E144 IonicContact NH1-OE1 2.63Å; R136-E144 PolarHBondContact NH1-OE1 3.36Å; R136-E144 IonicContact NH1-OE2 3.86Å | ||
| 137 | P | 67.7 | Low | 65.6 | Low | 67 Ų | 67 | 110.1 Ų | 110.1 | 44% | 0.435 | 57% | 0.571 | S | S | . | * | trans | -64.5 | 145.5 | 175.6 | 29.1 | -34.8 | 0 | 0 | 0 | 110.8 | E139 E140 L141 | P137-E139 PolarHBondContact O-N 3.4Å; P137-E139 VanDerWaalsContact O-N 3.1Å; P137-E140 WeakPolarHBondContact CD-OE2 3.45Å; P137-E140 HydrophobicContact CG-CB 4.11Å; P137-E140 VanDerWaalsContact CG-CD 3.41Å; P137-E140 HydrophobicContact CG-CG 3.77Å; P137-E140 PolarHBondContact O-N 2.7Å; P137-L141 PolarHBondContact O-N 3.42Å | ||
| 138 | Q | 67.9 | Low | 66.7 | Low | 128 Ų | 128 | 110.7 Ų | 110.7 | 60% | 0.598 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -53.5 | -34.8 | -176.4 | -169.3 | 69.6 | 39 | 0 | 0 | 113 | E140 L141 D142 | Q138-E140 VanDerWaalsContact C-N 3.32Å; Q138-E140 PolarHBondContact O-N 2.92Å; Q138-L141 PolarHBondContact O-N 2.98Å; Q138-D142 PolarHBondContact NE2-OD1 3.43Å; Q138-D142 VanDerWaalsContact NE2-OD1 3.09Å; Q138-D142 PolarHBondContact O-N 3.49Å |
| 139 | E | 71.8 | Confident | 67.9 | Low | 167 Ų | 167 | 112 Ų | 112 | 78% | 0.78 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.5 | -29.8 | 179.8 | -64.8 | 176.3 | 177.4 | 0 | 0 | 113.4 | P137 A143 | P137-E139 PolarHBondContact O-N 3.4Å; P137-E139 VanDerWaalsContact O-N 3.1Å; E139-A143 WeakPolarHBondContact O-CB 3.26Å; E139-A143 PolarHBondContact O-N 2.89Å |
| 140 | E | 72.3 | Confident | 69.4 | Low | 101 Ų | 101 | 111.6 Ų | 111.6 | 47% | 0.472 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -77.8 | -35 | 175.4 | -73.4 | 173.2 | -168.4 | 0 | 0 | 111 | P137 Q138 A143 E144 | P137-E140 WeakPolarHBondContact CD-OE2 3.45Å; P137-E140 HydrophobicContact CG-CB 4.11Å; P137-E140 VanDerWaalsContact CG-CD 3.41Å; P137-E140 HydrophobicContact CG-CG 3.77Å; P137-E140 PolarHBondContact O-N 2.7Å; Q138-E140 VanDerWaalsContact C-N 3.32Å; Q138-E140 PolarHBondContact O-N 2.92Å; E140-A143 PolarHBondContact O-N 2.89Å; E140-E144 WeakPolarHBondContact O-CB 3.24Å; E140-E144 VanDerWaalsContact O-CG 3.28Å; E140-E144 WeakPolarHBondContact O-CG 3.45Å; E140-E144 PolarHBondContact O-N 3.32Å |
| 141 | L | 65.8 | Low | 70.8 | Confident | 72 Ų | 72 | 108 Ų | 108 | 38% | 0.377 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.9 | -43 | 174.8 | -63 | 175.4 | 0 | 0 | 0 | 111.7 | R136 P137 Q138 A143 E144 E145 | R136-L141 HydrophobicContact CB-CD2 4.22Å; R136-L141 HydrophobicContact CB-CG 4.39Å; P137-L141 PolarHBondContact O-N 3.42Å; Q138-L141 PolarHBondContact O-N 2.98Å; L141-A143 PolarHBondContact O-N 2.91Å; L141-E144 PolarHBondContact O-N 2.97Å; L141-E145 WeakPolarHBondContact O-CB 3.46Å; L141-E145 PolarHBondContact O-N 2.85Å |
| 142 | D | 73.8 | Confident | 72.3 | Confident | 65 Ų | 65 | 104.8 Ų | 104.8 | 35% | 0.348 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.5 | -26.5 | 178.7 | -62.2 | -11.6 | 0 | 0 | 0 | 111.5 | Q138 Q146 | Q138-D142 PolarHBondContact NE2-OD1 3.43Å; Q138-D142 VanDerWaalsContact NE2-OD1 3.09Å; Q138-D142 PolarHBondContact O-N 3.49Å; D142-Q146 VanDerWaalsContact O-CG 3.25Å; D142-Q146 WeakPolarHBondContact O-CG 3.5Å; D142-Q146 PolarHBondContact O-N 3.31Å; D142-Q146 PolarHBondContact O-NE2 3.03Å; D142-Q146 VanDerWaalsContact O-NE2 3.12Å |
| 143 | A | 79.3 | Confident | 73.9 | Confident | 40 Ų | 40 | 103.3 Ų | 103.3 | 33% | 0.331 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -77.5 | -44.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E139 E140 L141 E145 Q146 E147 | E139-A143 WeakPolarHBondContact O-CB 3.26Å; E139-A143 PolarHBondContact O-N 2.89Å; E140-A143 PolarHBondContact O-N 2.89Å; L141-A143 PolarHBondContact O-N 2.91Å; A143-E145 VanDerWaalsContact C-N 3.33Å; A143-E145 PolarHBondContact O-N 3.4Å; A143-Q146 PolarHBondContact O-N 3.13Å; A143-E147 WeakPolarHBondContact O-CG 3.47Å; A143-E147 PolarHBondContact O-N 3.1Å |
| 144 | E | 76.8 | Confident | 75.8 | Confident | 67 Ų | 67 | 103.2 Ų | 103.2 | 31% | 0.313 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 174.5 | -73.2 | 166.6 | -165.7 | 0 | 0 | 111.4 | R136 E140 L141 Q146 E147 E148 | R136-E144 IonicContact CZ-OE1 3.73Å; R136-E144 IonicContact NH1-OE1 2.63Å; R136-E144 PolarHBondContact NH1-OE1 3.36Å; R136-E144 IonicContact NH1-OE2 3.86Å; E140-E144 WeakPolarHBondContact O-CB 3.24Å; E140-E144 VanDerWaalsContact O-CG 3.28Å; E140-E144 WeakPolarHBondContact O-CG 3.45Å; E140-E144 PolarHBondContact O-N 3.32Å; L141-E144 PolarHBondContact O-N 2.97Å; E144-Q146 VanDerWaalsContact C-N 3.31Å; E144-Q146 PolarHBondContact O-N 3.25Å; E144-E147 PolarHBondContact O-N 3.09Å; E144-E148 WeakPolarHBondContact O-CG 3.28Å; E144-E148 PolarHBondContact O-N 3.43Å |
| 145 | E | 77.4 | Confident | 77.3 | Confident | 116 Ų | 116 | 98.1 Ų | 98.1 | 54% | 0.542 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.6 | -33.9 | 178 | -166.9 | 170.1 | -159.5 | 0 | 0 | 112.2 | L141 A143 E149 | L141-E145 WeakPolarHBondContact O-CB 3.46Å; L141-E145 PolarHBondContact O-N 2.85Å; A143-E145 VanDerWaalsContact C-N 3.33Å; A143-E145 PolarHBondContact O-N 3.4Å; E145-E149 WeakPolarHBondContact O-CB 3.46Å; E145-E149 WeakPolarHBondContact O-CG 3.31Å; E145-E149 PolarHBondContact O-N 3.22Å |
| 146 | Q | 82.8 | Confident | 78.7 | Confident | 122 Ų | 122 | 100.8 Ų | 100.8 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70 | -40.2 | 174.3 | -74.9 | 170.1 | 41.8 | 0 | 0 | 112.2 | D142 A143 E144 E149 E150 | D142-Q146 VanDerWaalsContact O-CG 3.25Å; D142-Q146 WeakPolarHBondContact O-CG 3.5Å; D142-Q146 PolarHBondContact O-N 3.31Å; D142-Q146 PolarHBondContact O-NE2 3.03Å; D142-Q146 VanDerWaalsContact O-NE2 3.12Å; A143-Q146 PolarHBondContact O-N 3.13Å; E144-Q146 VanDerWaalsContact C-N 3.31Å; E144-Q146 PolarHBondContact O-N 3.25Å; Q146-E149 WeakPolarHBondContact O-CB 3.3Å; Q146-E149 PolarHBondContact O-N 3.34Å; Q146-E150 WeakPolarHBondContact O-CG 3.42Å; Q146-E150 PolarHBondContact O-N 3.05Å |
| 147 | E | 81.3 | Confident | 79.8 | Confident | 127 Ų | 127 | 101.6 Ų | 101.6 | 59% | 0.593 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65 | -42.6 | 176.3 | -69.9 | 177.3 | -175.6 | 0 | 0 | 110.8 | A143 E144 E149 E150 E151 | A143-E147 WeakPolarHBondContact O-CG 3.47Å; A143-E147 PolarHBondContact O-N 3.1Å; E144-E147 PolarHBondContact O-N 3.09Å; E147-E149 PolarHBondContact O-N 2.94Å; E147-E150 PolarHBondContact O-N 3.32Å; E147-E151 WeakPolarHBondContact O-CG 3.05Å; E147-E151 PolarHBondContact O-N 3.3Å |
| 148 | E | 81.7 | Confident | 80.6 | Confident | 134 Ų | 134 | 104.4 Ų | 104.4 | 63% | 0.626 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.4 | -39.6 | 173 | -72.1 | -174.9 | -178.1 | 0 | 0 | 112.5 | E144 E151 A152 | E144-E148 WeakPolarHBondContact O-CG 3.28Å; E144-E148 PolarHBondContact O-N 3.43Å; E148-E151 PolarHBondContact O-N 2.87Å; E148-A152 VanDerWaalsContact O-CB 3.26Å; E148-A152 WeakPolarHBondContact O-CB 3.37Å; E148-A152 PolarHBondContact O-N 3.35Å |
| 149 | E | 82.9 | Confident | 81.3 | Confident | 98 Ų | 98 | 103.4 Ų | 103.4 | 46% | 0.458 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 174.9 | -86.2 | -164.8 | -161.6 | 0 | 0 | 112.7 | E145 Q146 E147 K153 | E145-E149 WeakPolarHBondContact O-CB 3.46Å; E145-E149 WeakPolarHBondContact O-CG 3.31Å; E145-E149 PolarHBondContact O-N 3.22Å; Q146-E149 WeakPolarHBondContact O-CB 3.3Å; Q146-E149 PolarHBondContact O-N 3.34Å; E147-E149 PolarHBondContact O-N 2.94Å; E149-K153 WeakPolarHBondContact O-CB 3.33Å; E149-K153 WeakPolarHBondContact O-CD 3.45Å; E149-K153 WeakPolarHBondContact O-CG 3.42Å; E149-K153 PolarHBondContact O-N 3.41Å; E149-K153 IonicContact OE2-NZ 2.86Å; E149-K153 PolarHBondContact OE2-NZ 3.4Å |
| 150 | E | 87.6 | Confident | 81.8 | Confident | 125 Ų | 125 | 97.6 Ų | 97.6 | 58% | 0.584 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -69.3 | -42.1 | 178.5 | -73.4 | -170 | 171.4 | 0 | 0 | 111.5 | Q146 E147 K153 N154 | Q146-E150 WeakPolarHBondContact O-CG 3.42Å; Q146-E150 PolarHBondContact O-N 3.05Å; E147-E150 PolarHBondContact O-N 3.32Å; E150-K153 PolarHBondContact O-N 2.74Å; E150-N154 WeakPolarHBondContact O-CB 3.44Å; E150-N154 PolarHBondContact O-N 3.26Å; E150-N154 PolarHBondContact O-ND2 3.21Å |
| 151 | E | 83.6 | Confident | 82.3 | Confident | 128 Ų | 128 | 100.4 Ų | 100.4 | 60% | 0.598 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62 | -43.8 | 173 | -71.9 | -173.1 | 176.7 | 0 | 0 | 111.5 | E147 E148 K153 N154 I155 | E147-E151 WeakPolarHBondContact O-CG 3.05Å; E147-E151 PolarHBondContact O-N 3.3Å; E148-E151 PolarHBondContact O-N 2.87Å; E151-K153 VanDerWaalsContact C-N 3.33Å; E151-K153 PolarHBondContact O-N 3.33Å; E151-N154 PolarHBondContact O-N 2.8Å; E151-N154 VanDerWaalsContact O-N 3.13Å; E151-I155 VanDerWaalsContact O-CG1 3.28Å; E151-I155 WeakPolarHBondContact O-CG1 3.23Å; E151-I155 PolarHBondContact O-N 2.73Å |
| 152 | A | 85.4 | Confident | 83 | Confident | 44 Ų | 44 | 102.8 Ų | 102.8 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E148 N154 I155 Q156 | E148-A152 VanDerWaalsContact O-CB 3.26Å; E148-A152 WeakPolarHBondContact O-CB 3.37Å; E148-A152 PolarHBondContact O-N 3.35Å; A152-N154 VanDerWaalsContact C-N 3.32Å; A152-N154 PolarHBondContact O-N 2.86Å; A152-I155 PolarHBondContact O-N 3.17Å; A152-Q156 WeakPolarHBondContact O-CB 3.3Å; A152-Q156 VanDerWaalsContact O-CG 3.31Å; A152-Q156 WeakPolarHBondContact O-CG 3.37Å; A152-Q156 PolarHBondContact O-N 2.85Å |
| 153 | K | 91.3 | Very high | 83.5 | Confident | 93 Ų | 93 | 103.7 Ų | 103.7 | 40% | 0.404 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.5 | -38.4 | 174.8 | -75.1 | 162.8 | -167.9 | 149.4 | 0 | 111.3 | E149 E150 E151 Q156 K157 | E149-K153 WeakPolarHBondContact O-CB 3.33Å; E149-K153 WeakPolarHBondContact O-CD 3.45Å; E149-K153 WeakPolarHBondContact O-CG 3.42Å; E149-K153 PolarHBondContact O-N 3.41Å; E149-K153 IonicContact OE2-NZ 2.86Å; E149-K153 PolarHBondContact OE2-NZ 3.4Å; E150-K153 PolarHBondContact O-N 2.74Å; E151-K153 VanDerWaalsContact C-N 3.33Å; E151-K153 PolarHBondContact O-N 3.33Å; K153-Q156 PolarHBondContact O-N 2.79Å; K153-K157 WeakPolarHBondContact O-CB 3.41Å; K153-K157 VanDerWaalsContact O-CG 3.28Å; K153-K157 WeakPolarHBondContact O-CG 3.46Å; K153-K157 PolarHBondContact O-N 3.37Å |
| 154 | N | 89 | Confident | 83.1 | Confident | 81 Ų | 81 | 104.2 Ų | 104.2 | 43% | 0.433 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.4 | -38.7 | 178.3 | -69.1 | -15.5 | 0 | 0 | 0 | 111.9 | E150 E151 A152 K157 R158 | E150-N154 WeakPolarHBondContact O-CB 3.44Å; E150-N154 PolarHBondContact O-N 3.26Å; E150-N154 PolarHBondContact O-ND2 3.21Å; E151-N154 PolarHBondContact O-N 2.8Å; E151-N154 VanDerWaalsContact O-N 3.13Å; A152-N154 VanDerWaalsContact C-N 3.32Å; A152-N154 PolarHBondContact O-N 2.86Å; N154-K157 PolarHBondContact O-N 3.09Å; N154-R158 WeakPolarHBondContact O-CB 3.36Å; N154-R158 PolarHBondContact O-N 3.25Å |
| 155 | I | 83.6 | Confident | 82.6 | Confident | 103 Ų | 103 | 109.7 Ų | 109.7 | 53% | 0.528 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 172.8 | -67.2 | 163.3 | 0 | 0 | 0 | 110.6 | E151 A152 R158 L159 | E151-I155 VanDerWaalsContact O-CG1 3.28Å; E151-I155 WeakPolarHBondContact O-CG1 3.23Å; E151-I155 PolarHBondContact O-N 2.73Å; A152-I155 PolarHBondContact O-N 3.17Å; I155-R158 PolarHBondContact O-N 3.1Å; I155-L159 HydrophobicContact CG2-CD1 4.02Å; I155-L159 WeakPolarHBondContact O-CG 3.18Å; I155-L159 PolarHBondContact O-N 3.35Å |
| 156 | Q | 85.9 | Confident | 82.1 | Confident | 132 Ų | 132 | 112.1 Ų | 112.1 | 62% | 0.617 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63 | -44.7 | 176.9 | -74 | 177.7 | 16.4 | 0 | 0 | 112.1 | A152 K153 R158 L159 A160 | A152-Q156 WeakPolarHBondContact O-CB 3.3Å; A152-Q156 VanDerWaalsContact O-CG 3.31Å; A152-Q156 WeakPolarHBondContact O-CG 3.37Å; A152-Q156 PolarHBondContact O-N 2.85Å; K153-Q156 PolarHBondContact O-N 2.79Å; Q156-R158 VanDerWaalsContact C-N 3.34Å; Q156-R158 PolarHBondContact O-N 2.84Å; Q156-L159 PolarHBondContact O-N 3.41Å; Q156-A160 WeakPolarHBondContact O-CB 3.29Å; Q156-A160 PolarHBondContact O-N 3.32Å |
| 157 | K | 87.9 | Confident | 81.5 | Confident | 123 Ų | 123 | 111 Ų | 111 | 54% | 0.535 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60 | -44 | 175.1 | -75.6 | 171.4 | -174.1 | 169.5 | 0 | 111.4 | K153 N154 L159 A160 E161 | K153-K157 WeakPolarHBondContact O-CB 3.41Å; K153-K157 VanDerWaalsContact O-CG 3.28Å; K153-K157 WeakPolarHBondContact O-CG 3.46Å; K153-K157 PolarHBondContact O-N 3.37Å; N154-K157 PolarHBondContact O-N 3.09Å; K157-L159 PolarHBondContact O-N 2.93Å; K157-A160 WeakPolarHBondContact O-CB 3.29Å; K157-A160 PolarHBondContact O-N 3.38Å; K157-E161 WeakPolarHBondContact O-CG 3.48Å; K157-E161 PolarHBondContact O-N 2.64Å |
| 158 | R | 85.1 | Confident | 80.9 | Confident | 126 Ų | 126 | 110.6 Ų | 110.6 | 48% | 0.475 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 177.2 | -173.8 | -175.5 | 177 | 115.7 | 3.8 | 112.5 | N154 I155 Q156 A160 E161 N162 | N154-R158 WeakPolarHBondContact O-CB 3.36Å; N154-R158 PolarHBondContact O-N 3.25Å; I155-R158 PolarHBondContact O-N 3.1Å; Q156-R158 VanDerWaalsContact C-N 3.34Å; Q156-R158 PolarHBondContact O-N 2.84Å; R158-A160 VanDerWaalsContact C-N 3.33Å; R158-E161 PolarHBondContact O-N 2.91Å; R158-N162 PolarHBondContact O-N 3.42Å; R158-N162 PolarHBondContact O-ND2 2.91Å |
| 159 | L | 81.9 | Confident | 79.5 | Confident | 107 Ų | 107 | 109.6 Ų | 109.6 | 56% | 0.56 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.1 | -40.9 | 174.2 | -74.7 | 167.3 | 0 | 0 | 0 | 111.1 | I155 Q156 K157 N162 L163 | I155-L159 HydrophobicContact CG2-CD1 4.02Å; I155-L159 WeakPolarHBondContact O-CG 3.18Å; I155-L159 PolarHBondContact O-N 3.35Å; Q156-L159 PolarHBondContact O-N 3.41Å; K157-L159 PolarHBondContact O-N 2.93Å; L159-N162 PolarHBondContact O-N 3.19Å; L159-L163 PolarHBondContact O-N 2.95Å |
| 160 | A | 83 | Confident | 78.3 | Confident | 45 Ų | 45 | 110.7 Ų | 110.7 | 37% | 0.372 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.2 | -37 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q156 K157 R158 N162 L163 | Q156-A160 WeakPolarHBondContact O-CB 3.29Å; Q156-A160 PolarHBondContact O-N 3.32Å; K157-A160 WeakPolarHBondContact O-CB 3.29Å; K157-A160 PolarHBondContact O-N 3.38Å; R158-A160 VanDerWaalsContact C-N 3.33Å; A160-N162 VanDerWaalsContact C-N 3.35Å; A160-L163 PolarHBondContact O-N 3.37Å |
| 161 | E | 83.4 | Confident | 76.8 | Confident | 160 Ų | 160 | 110.2 Ų | 110.2 | 75% | 0.748 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68.5 | -31.7 | 176.4 | -76.5 | 173.8 | -174.3 | 0 | 0 | 113 | K157 R158 L163 | K157-E161 WeakPolarHBondContact O-CG 3.48Å; K157-E161 PolarHBondContact O-N 2.64Å; R158-E161 PolarHBondContact O-N 2.91Å; E161-L163 VanDerWaalsContact C-N 3.33Å |
| 162 | N | 80.3 | Confident | 75.2 | Confident | 123 Ų | 123 | 110.7 Ų | 110.7 | 66% | 0.658 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -79.2 | -16.3 | 175.3 | -71.5 | -55.7 | 0 | 0 | 0 | 113 | R158 L159 A160 | R158-N162 PolarHBondContact O-N 3.42Å; R158-N162 PolarHBondContact O-ND2 2.91Å; L159-N162 PolarHBondContact O-N 3.19Å; A160-N162 VanDerWaalsContact C-N 3.35Å |
| 163 | L | 82.6 | Confident | 73.5 | Confident | 84 Ų | 84 | 114.5 Ų | 114.5 | 44% | 0.44 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -87 | 117.6 | 172.4 | -76.1 | 167.9 | 0 | 0 | 0 | 109.1 | L159 A160 E161 D167 Y168 | L159-L163 PolarHBondContact O-N 2.95Å; A160-L163 PolarHBondContact O-N 3.37Å; E161-L163 VanDerWaalsContact C-N 3.33Å; L163-D167 HydrophobicContact CD2-CB 3.89Å; L163-Y168 HydrophobicContact CB-CE2 3.88Å |
| 164 | S | 72.4 | Confident | 71.4 | Confident | 50 Ų | 50 | 116.3 Ų | 116.3 | 35% | 0.35 | 57% | 0.574 | S | S | . | * | trans | -75.8 | 157.9 | 175.4 | 69.7 | 0 | 0 | 0 | 0 | 110.6 | E166 D167 Y168 | S164-E166 PolarHBondContact O-N 3.15Å; S164-E166 PolarHBondContact OG-N 2.95Å; S164-D167 PolarHBondContact N-OD2 2.94Å; S164-D167 VanDerWaalsContact N-OD2 3.16Å; S164-D167 PolarHBondContact O-N 3.25Å; S164-D167 PolarHBondContact OG-OD2 3.13Å; S164-Y168 VanDerWaalsContact O-CD2 3.25Å; S164-Y168 WeakPolarHBondContact O-CD2 3.3Å | ||
| 165 | E | 66.6 | Low | 69.5 | Low | 183 Ų | 183 | 119.1 Ų | 119.1 | 86% | 0.855 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -14.4 | 172.8 | -66.7 | -179.7 | -177.7 | 0 | 0 | 113.3 | ||
| 166 | E | 65.7 | Low | 67.8 | Low | 166 Ų | 166 | 120.7 Ų | 120.7 | 78% | 0.776 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -23.4 | 177.1 | -54.3 | -176.2 | 168.7 | 0 | 0 | 112.8 | S164 | S164-E166 PolarHBondContact O-N 3.15Å; S164-E166 PolarHBondContact OG-N 2.95Å |
| 167 | D | 71.6 | Confident | 66 | Low | 99 Ų | 99 | 118 Ų | 118 | 53% | 0.529 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.1 | -17.4 | 177.3 | -60.3 | -57.8 | 0 | 0 | 0 | 112.5 | L163 S164 D169 | L163-D167 HydrophobicContact CD2-CB 3.89Å; S164-D167 PolarHBondContact N-OD2 2.94Å; S164-D167 VanDerWaalsContact N-OD2 3.16Å; S164-D167 PolarHBondContact O-N 3.25Å; S164-D167 PolarHBondContact OG-OD2 3.13Å; D167-D169 PolarHBondContact O-N 3.08Å |
| 168 | Y | 67.7 | Low | 63.9 | Low | 119 Ų | 119 | 117.7 Ų | 117.7 | 47% | 0.467 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -75.8 | 74.7 | 164.5 | -63.1 | -86.5 | 0 | 0 | 0 | 108.2 | L163 S164 L170 | L163-Y168 HydrophobicContact CB-CE2 3.88Å; S164-Y168 VanDerWaalsContact O-CD2 3.25Å; S164-Y168 WeakPolarHBondContact O-CD2 3.3Å; Y168-L170 PolarHBondContact O-N 3.42Å |
| 169 | D | 53 | Low | 61.9 | Low | 113 Ų | 113 | 119.5 Ų | 119.5 | 60% | 0.604 | 61% | 0.61 | S | S | * | * | trans | -65.1 | 75.3 | 170.2 | -93.1 | -32.5 | 0 | 0 | 0 | 109.6 | D167 N171 F172 | D167-D169 PolarHBondContact O-N 3.08Å; D169-N171 PolarHBondContact O-N 3.26Å; D169-F172 PolarHBondContact O-N 3.35Å | ||
| 170 | L | 56.8 | Low | 60.1 | Low | 120 Ų | 120 | 122.3 Ų | 122.3 | 63% | 0.628 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -56.7 | -12.2 | 169.4 | -75.8 | 163.8 | 0 | 0 | 0 | 111.9 | Y168 Q174 | Y168-L170 PolarHBondContact O-N 3.42Å; L170-Q174 VanDerWaalsContact O-CB 3.25Å; L170-Q174 WeakPolarHBondContact O-CB 3.35Å; L170-Q174 PolarHBondContact O-N 3.01Å |
| 171 | N | 56.8 | Low | 57.7 | Low | 116 Ų | 116 | 129.8 Ų | 129.8 | 62% | 0.62 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -65.1 | -37.8 | 169.7 | -77.8 | 11.4 | 0 | 0 | 0 | 112.6 | D169 Q174 E175 | D169-N171 PolarHBondContact O-N 3.26Å; N171-Q174 PolarHBondContact O-N 3.18Å; N171-E175 PolarHBondContact O-N 3.41Å |
| 172 | F | 50.4 | Low | 55.3 | Low | 138 Ų | 138 | 129.9 Ų | 129.9 | 61% | 0.605 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -68.7 | -37.3 | 177.5 | -172 | -103.1 | 0 | 0 | 0 | 111.3 | D169 F176 | D169-F172 PolarHBondContact O-N 3.35Å; F172-F176 HydrophobicContact CD1-CD2 4.34Å; F172-F176 HydrophobicContact CD1-CE2 4.44Å; F172-F176 HydrophobicContact CE1-CD2 4.02Å; F172-F176 AromaticContact CE1-CE2 3.72Å; F172-F176 HydrophobicContact CE1-CE2 3.72Å; F172-F176 AromaticContact CE2-CE2 3.95Å; F172-F176 HydrophobicContact CE2-CE2 3.95Å; F172-F176 HydrophobicContact CZ-CD2 4.13Å; F172-F176 AromaticContact CZ-CE2 3.45Å; F172-F176 HydrophobicContact CZ-CE2 3.45Å; F172-F176 VanDerWaalsContact CZ-CE2 3.45Å; F172-F176 HydrophobicContact CZ-CZ 4.37Å; F172-F176 WeakPolarHBondContact O-CD2 3.27Å; F172-F176 PolarHBondContact O-N 3.02Å |
| 173 | L | 47.7 | Very low | 53.3 | Low | 124 Ų | 124 | 132.5 Ų | 132.5 | 65% | 0.649 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -71.8 | -31.6 | 174.5 | -111 | 154.1 | 0 | 0 | 0 | 112.7 | A177 | L173-A177 WeakPolarHBondContact O-CB 3.42Å; L173-A177 PolarHBondContact O-N 3.18Å |
| 174 | Q | 47.8 | Very low | 51.4 | Low | 130 Ų | 130 | 135.7 Ų | 135.7 | 61% | 0.607 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -73.2 | -30.3 | 176.1 | -171.8 | 160.6 | 16.4 | 0 | 0 | 112.5 | L170 N171 V178 | L170-Q174 VanDerWaalsContact O-CB 3.25Å; L170-Q174 WeakPolarHBondContact O-CB 3.35Å; L170-Q174 PolarHBondContact O-N 3.01Å; N171-Q174 PolarHBondContact O-N 3.18Å; Q174-V178 VanDerWaalsContact O-CG2 3.24Å; Q174-V178 WeakPolarHBondContact O-CG2 3.49Å; Q174-V178 PolarHBondContact O-N 3.49Å |
| 175 | E | 50.3 | Low | 49.6 | Very low | 140 Ų | 140 | 142.9 Ų | 142.9 | 65% | 0.654 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -73.2 | -37.4 | 175.6 | -152.9 | 155.5 | -152.8 | 0 | 0 | 111.6 | N171 V178 | N171-E175 PolarHBondContact O-N 3.41Å; E175-V178 PolarHBondContact O-N 2.92Å |
| 176 | F | 47.3 | Very low | 48.2 | Very low | 136 Ų | 136 | 139.6 Ų | 139.6 | 60% | 0.596 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -71.1 | -28.9 | 171.2 | -90.7 | -87.8 | 0 | 0 | 0 | 114.1 | F172 V178 | F172-F176 HydrophobicContact CD1-CD2 4.34Å; F172-F176 HydrophobicContact CD1-CE2 4.44Å; F172-F176 HydrophobicContact CE1-CD2 4.02Å; F172-F176 AromaticContact CE1-CE2 3.72Å; F172-F176 HydrophobicContact CE1-CE2 3.72Å; F172-F176 AromaticContact CE2-CE2 3.95Å; F172-F176 HydrophobicContact CE2-CE2 3.95Å; F172-F176 HydrophobicContact CZ-CD2 4.13Å; F172-F176 AromaticContact CZ-CE2 3.45Å; F172-F176 HydrophobicContact CZ-CE2 3.45Å; F172-F176 VanDerWaalsContact CZ-CE2 3.45Å; F172-F176 HydrophobicContact CZ-CZ 4.37Å; F172-F176 WeakPolarHBondContact O-CD2 3.27Å; F172-F176 PolarHBondContact O-N 3.02Å; F176-V178 VanDerWaalsContact C-N 3.3Å |
| 177 | A | 47.2 | Very low | 47 | Very low | 76 Ų | 76 | 138.4 Ų | 138.4 | 63% | 0.628 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -12.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L173 | L173-A177 WeakPolarHBondContact O-CB 3.42Å; L173-A177 PolarHBondContact O-N 3.18Å |
| 178 | V | 43.7 | Very low | 45.4 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 70% | 0.703 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -18.5 | 176.7 | 170.5 | 0 | 0 | 0 | 0 | 112.1 | Q174 E175 F176 | Q174-V178 VanDerWaalsContact O-CG2 3.24Å; Q174-V178 WeakPolarHBondContact O-CG2 3.49Å; Q174-V178 PolarHBondContact O-N 3.49Å; E175-V178 PolarHBondContact O-N 2.92Å; F176-V178 VanDerWaalsContact C-N 3.3Å |
| 179 | E | 43.4 | Very low | 44.2 | Very low | 164 Ų | 164 | 145.4 Ų | 145.4 | 77% | 0.766 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -94.2 | -3 | -176.7 | -71 | -163.4 | 154.8 | 0 | 0 | 116 | ||
| 180 | E | 44.8 | Very low | 43.4 | Very low | 166 Ų | 166 | 148.2 Ų | 148.2 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -130.6 | 89.6 | 169.4 | -71.6 | -163.2 | 169 | 0 | 0 | 111.6 | ||
| 181 | K | 33.1 | Very low | 42.7 | Very low | 202 Ų | 202 | 151 Ų | 151 | 88% | 0.878 | 75% | 0.75 | S | S | * | * | trans | 173 | 104.7 | 134.9 | -92.9 | 156.4 | -168.9 | 177.4 | 0 | 111.9 | ||||
| 182 | D | 32 | Very low | 42.5 | Very low | 163 Ų | 163 | 153.4 Ų | 153.4 | 87% | 0.872 | 76% | 0.755 | S | S | * | * | trans | -108.9 | 128.4 | 143.7 | -85.8 | -36.3 | 0 | 0 | 0 | 109.3 | ||||
| 183 | E | 39.4 | Very low | 42.3 | Very low | 178 Ų | 178 | 154.3 Ų | 154.3 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 87.1 | 121.6 | 159.1 | -52.6 | -163.4 | 161.7 | 0 | 0 | 121.9 | ||
| 184 | D | 41.6 | Very low | 42.8 | Very low | 151 Ų | 151 | 153 Ų | 153 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | trans | 76.9 | 81.3 | 163.6 | -60.3 | -23.7 | 0 | 0 | 0 | 121.4 | ||||
| 185 | K | 34.6 | Very low | 43.6 | Very low | 200 Ų | 200 | 153.8 Ų | 153.8 | 87% | 0.87 | 76% | 0.763 | S | S | * | * | trans | -167.6 | 155 | 137 | -104.6 | 166.3 | -168.6 | -178.7 | 0 | 111.7 | ||||
| 186 | P | 36.7 | Very low | 44.4 | Very low | 115 Ų | 115 | 152.2 Ų | 152.2 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | trans | -72.9 | 152.6 | -161.3 | 32.1 | -34.6 | 0 | 0 | 0 | 112.4 | E188 | P186-E188 PolarHBondContact O-N 3.46Š| ||
| 187 | V | 41.3 | Very low | 45.3 | Very low | 140 Ų | 140 | 149.6 Ų | 149.6 | 85% | 0.848 | 75% | 0.75 | S | S | * | * | trans | -45.1 | 93.3 | -178.1 | -175 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 188 | E | 38.9 | Very low | 46.7 | Very low | 183 Ų | 183 | 155.3 Ų | 155.3 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | trans | -84.8 | 122 | 152.5 | -73.8 | -170.6 | 172.2 | 0 | 0 | 107.5 | P186 Q190 | P186-E188 PolarHBondContact O-N 3.46Å; E188-Q190 PolarHBondContact O-N 2.89Å | ||
| 189 | K | 42.6 | Very low | 48.3 | Very low | 183 Ų | 183 | 158.1 Ų | 158.1 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | trans | -56 | 113.7 | -176.2 | -65 | 166 | -178.1 | 171.3 | 0 | 108.3 | E191 | K189-E191 VanDerWaalsContact C-N 3.3Å; K189-E191 PolarHBondContact O-N 2.99Å | ||
| 190 | Q | 34.3 | Very low | 49.5 | Very low | 171 Ų | 171 | 153 Ų | 153 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | trans | -57.7 | 101.1 | 157.6 | -68.6 | 178.6 | -10.9 | 0 | 0 | 106.8 | E188 K192 | E188-Q190 PolarHBondContact O-N 2.89Å; Q190-K192 PolarHBondContact O-N 3.4Å | ||
| 191 | E | 42.9 | Very low | 51.6 | Low | 178 Ų | 178 | 147.4 Ų | 147.4 | 83% | 0.832 | 72% | 0.722 | S | S | * | * | trans | -67.5 | 87.9 | 164.4 | -68.5 | -169.7 | 168.3 | 0 | 0 | 106.5 | K189 I193 | K189-E191 VanDerWaalsContact C-N 3.3Å; K189-E191 PolarHBondContact O-N 2.99Å; E191-I193 VanDerWaalsContact C-N 3.34Å; E191-I193 PolarHBondContact O-N 2.84Å | ||
| 192 | K | 51.9 | Low | 53.8 | Low | 168 Ų | 168 | 144.5 Ų | 144.5 | 73% | 0.73 | 72% | 0.716 | S | S | * | * | trans | -53.4 | 107.1 | 161.9 | -74.9 | 178.3 | 178.2 | 178 | 0 | 105.5 | Q190 V194 | Q190-K192 PolarHBondContact O-N 3.4Å; K192-V194 VanDerWaalsContact C-N 3.34Å; K192-V194 PolarHBondContact O-N 3.04Å | ||
| 193 | I | 46.7 | Very low | 56.2 | Low | 156 Ų | 156 | 144.8 Ų | 144.8 | 80% | 0.8 | 71% | 0.709 | S | S | * | * | trans | -55.4 | 106.3 | 169.8 | -60.6 | 169.7 | 0 | 0 | 0 | 105.4 | E191 K195 | E191-I193 VanDerWaalsContact C-N 3.34Å; E191-I193 PolarHBondContact O-N 2.84Å; I193-K195 VanDerWaalsContact C-N 3.26Å; I193-K195 PolarHBondContact O-N 3.26Å | ||
| 194 | V | 58.9 | Low | 58.3 | Low | 97 Ų | 97 | 140.2 Ų | 140.2 | 59% | 0.588 | 69% | 0.688 | S | S | * | * | trans | -69 | 95.2 | 176.9 | 178.1 | 0 | 0 | 0 | 0 | 104.8 | K192 D196 | K192-V194 VanDerWaalsContact C-N 3.34Å; K192-V194 PolarHBondContact O-N 3.04Å; V194-D196 PolarHBondContact O-N 3.35Å | ||
| 195 | K | 63.9 | Low | 60.1 | Low | 146 Ų | 146 | 136.3 Ų | 136.3 | 64% | 0.635 | 66% | 0.664 | S | S | * | * | trans | -51.2 | 114.6 | 170.9 | -66.8 | -177.1 | -179.6 | -179.3 | 0 | 107.4 | I193 L197 | I193-K195 VanDerWaalsContact C-N 3.26Å; I193-K195 PolarHBondContact O-N 3.26Å; K195-L197 PolarHBondContact O-N 3.11Å | ||
| 196 | D | 66.5 | Low | 62.3 | Low | 107 Ų | 107 | 131.3 Ų | 131.3 | 57% | 0.572 | 65% | 0.645 | S | S | * | * | trans | -71.7 | 90.8 | -174 | -91 | -33 | 0 | 0 | 0 | 109.9 | V194 K198 Q199 | V194-D196 PolarHBondContact O-N 3.35Å; D196-K198 PolarHBondContact O-N 3.21Å; D196-Q199 PolarHBondContact O-N 3.46Å | ||
| 197 | L | 66.1 | Low | 64.5 | Low | 81 Ų | 81 | 132.6 Ų | 132.6 | 42% | 0.424 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60 | -9 | 179 | -62.6 | 177.1 | 0 | 0 | 0 | 113.1 | K195 K205 | K195-L197 PolarHBondContact O-N 3.11Å; L197-K205 WeakPolarHBondContact O-CE 3.23Å; L197-K205 PolarHBondContact O-NZ 3.15Å |
| 198 | K | 77.3 | Confident | 66.3 | Low | 197 Ų | 197 | 128.1 Ų | 128.1 | 86% | 0.857 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -28.8 | 179.5 | -69.9 | -179.8 | -178.3 | 173.7 | 0 | 112.4 | D196 | D196-K198 PolarHBondContact O-N 3.21Š|
| 199 | Q | 78.3 | Confident | 68.2 | Low | 174 Ų | 174 | 122 Ų | 122 | 81% | 0.813 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -17 | -173.9 | -67 | 178.6 | -12.6 | 0 | 0 | 114.2 | D196 | D196-Q199 PolarHBondContact O-N 3.46Š|
| 200 | M | 68.7 | Low | 70 | Confident | 58 Ų | 58 | 119.3 Ų | 119.3 | 29% | 0.286 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -73.5 | 146.3 | 179 | -58.3 | -167.1 | 87.6 | 0 | 0 | 113 | E204 K205 L208 | M200-E204 WeakPolarHBondContact CA-OE2 2.91Å; M200-E204 HydrophobicContact CB-CB 4.28Å; M200-E204 WeakPolarHBondContact CB-OE2 3.34Å; M200-E204 HydrophobicContact CE-CB 3.83Å; M200-E204 HydrophobicContact CE-CG 4.32Å; M200-K205 HydrophobicContact CB-CG 4.22Å; M200-K205 WeakPolarHBondContact O-CE 3.49Å; M200-K205 PolarHBondContact O-NZ 3.27Å; M200-L208 HydrophobicContact CE-CD1 3.84Å; M200-L208 HydrophobicContact SD-CD1 3.56Å; M200-L208 VanDerWaalsContact SD-CD1 3.56Å |
| 201 | S | 87.1 | Confident | 72.3 | Confident | 47 Ų | 47 | 119.5 Ų | 119.5 | 33% | 0.329 | 57% | 0.569 | S | S | . | * | trans | -65.9 | 153.2 | 176.2 | 77.5 | 0 | 0 | 0 | 0 | 111.6 | K203 E204 K205 | S201-K203 PolarHBondContact O-N 3.4Å; S201-K203 VanDerWaalsContact O-N 3.12Å; S201-E204 VanDerWaalsContact CB-OE1 3.32Å; S201-E204 WeakPolarHBondContact CB-OE1 3.46Å; S201-E204 PolarHBondContact N-OE2 3.19Å; S201-E204 PolarHBondContact O-N 2.87Å; S201-E204 VanDerWaalsContact O-N 3.09Å; S201-E204 WeakPolarHBondContact OG-CG 3.44Å; S201-E204 PolarHBondContact OG-N 2.76Å; S201-E204 PolarHBondContact OG-OE1 3.19Å; S201-K205 WeakPolarHBondContact O-CG 3.45Å; S201-K205 PolarHBondContact O-N 2.75Å | ||
| 202 | L | 79.2 | Confident | 73.9 | Confident | 142 Ų | 142 | 117.5 Ų | 117.5 | 74% | 0.743 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -55.8 | -31 | 176.1 | -67.9 | 178.3 | 0 | 0 | 0 | 111.9 | M206 | L202-M206 VanDerWaalsContact O-CG 3.3Å; L202-M206 WeakPolarHBondContact O-CG 3.5Å; L202-M206 PolarHBondContact O-N 3.24Å; L202-M206 VanDerWaalsContact O-N 3.12Å |
| 203 | K | 83.7 | Confident | 74.9 | Confident | 169 Ų | 169 | 109.8 Ų | 109.8 | 74% | 0.735 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -71.3 | -41.9 | 178 | -66.8 | -177.9 | 179.7 | 177.9 | 0 | 111.8 | S201 M206 K207 | S201-K203 PolarHBondContact O-N 3.4Å; S201-K203 VanDerWaalsContact O-N 3.12Å; K203-M206 PolarHBondContact O-N 3.31Å; K203-K207 WeakPolarHBondContact O-CG 3.3Å; K203-K207 PolarHBondContact O-N 3.37Å |
| 204 | E | 82.6 | Confident | 76.4 | Confident | 82 Ų | 82 | 106.3 Ų | 106.3 | 38% | 0.383 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 174.7 | -73.6 | 143.4 | -131.7 | 0 | 0 | 112 | M200 S201 M206 K207 L208 | M200-E204 WeakPolarHBondContact CA-OE2 2.91Å; M200-E204 HydrophobicContact CB-CB 4.28Å; M200-E204 WeakPolarHBondContact CB-OE2 3.34Å; M200-E204 HydrophobicContact CE-CB 3.83Å; M200-E204 HydrophobicContact CE-CG 4.32Å; S201-E204 VanDerWaalsContact CB-OE1 3.32Å; S201-E204 WeakPolarHBondContact CB-OE1 3.46Å; S201-E204 PolarHBondContact N-OE2 3.19Å; S201-E204 PolarHBondContact O-N 2.87Å; S201-E204 VanDerWaalsContact O-N 3.09Å; S201-E204 WeakPolarHBondContact OG-CG 3.44Å; S201-E204 PolarHBondContact OG-N 2.76Å; S201-E204 PolarHBondContact OG-OE1 3.19Å; E204-M206 VanDerWaalsContact C-N 3.34Å; E204-M206 PolarHBondContact O-N 3.16Å; E204-K207 PolarHBondContact O-N 2.98Å; E204-K207 VanDerWaalsContact O-N 3.14Å; E204-L208 PolarHBondContact O-N 2.82Å |
| 205 | K | 80.8 | Confident | 77.4 | Confident | 69 Ų | 69 | 106.1 Ų | 106.1 | 30% | 0.3 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 175.4 | -69.4 | 171.3 | -178.2 | 171.2 | 0 | 112.2 | L197 M200 S201 K207 L208 L209 | L197-K205 WeakPolarHBondContact O-CE 3.23Å; L197-K205 PolarHBondContact O-NZ 3.15Å; M200-K205 HydrophobicContact CB-CG 4.22Å; M200-K205 WeakPolarHBondContact O-CE 3.49Å; M200-K205 PolarHBondContact O-NZ 3.27Å; S201-K205 WeakPolarHBondContact O-CG 3.45Å; S201-K205 PolarHBondContact O-N 2.75Å; K205-K207 VanDerWaalsContact C-N 3.35Å; K205-L208 PolarHBondContact O-N 3.28Å; K205-L209 VanDerWaalsContact O-CB 3.32Å; K205-L209 WeakPolarHBondContact O-CB 3.45Å; K205-L209 PolarHBondContact O-N 2.99Å |
| 206 | M | 79.6 | Confident | 78.3 | Confident | 95 Ų | 95 | 99.7 Ų | 99.7 | 47% | 0.468 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.5 | -34 | 176 | -69.7 | -60.2 | -68.1 | 0 | 0 | 112.2 | L202 K203 E204 K210 L217 | L202-M206 VanDerWaalsContact O-CG 3.3Å; L202-M206 WeakPolarHBondContact O-CG 3.5Å; L202-M206 PolarHBondContact O-N 3.24Å; L202-M206 VanDerWaalsContact O-N 3.12Å; K203-M206 PolarHBondContact O-N 3.31Å; E204-M206 VanDerWaalsContact C-N 3.34Å; E204-M206 PolarHBondContact O-N 3.16Å; M206-K210 WeakPolarHBondContact O-CB 3.29Å; M206-K210 VanDerWaalsContact O-CG 3.27Å; M206-K210 WeakPolarHBondContact O-CG 3.46Å; M206-K210 PolarHBondContact O-N 3.16Å; M206-L217 HydrophobicContact CE-CD2 4.4Å |
| 207 | K | 83.4 | Confident | 79.1 | Confident | 142 Ų | 142 | 97.1 Ų | 97.1 | 62% | 0.617 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -67.2 | -43.7 | 173.7 | -75.6 | 178.2 | 180 | -176.5 | 0 | 111.7 | K203 E204 K205 K210 K211 | K203-K207 WeakPolarHBondContact O-CG 3.3Å; K203-K207 PolarHBondContact O-N 3.37Å; E204-K207 PolarHBondContact O-N 2.98Å; E204-K207 VanDerWaalsContact O-N 3.14Å; K205-K207 VanDerWaalsContact C-N 3.35Å; K207-K210 PolarHBondContact O-N 2.89Å; K207-K211 VanDerWaalsContact O-CG 3.3Å; K207-K211 WeakPolarHBondContact O-CG 3.36Å; K207-K211 PolarHBondContact O-N 3.46Å |
| 208 | L | 79.3 | Confident | 80.1 | Confident | 46 Ų | 46 | 99 Ų | 99 | 24% | 0.241 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 174.2 | -74.2 | 177 | 0 | 0 | 0 | 111.2 | M200 E204 K205 K210 K211 E212 | M200-L208 HydrophobicContact CE-CD1 3.84Å; M200-L208 HydrophobicContact SD-CD1 3.56Å; M200-L208 VanDerWaalsContact SD-CD1 3.56Å; E204-L208 PolarHBondContact O-N 2.82Å; K205-L208 PolarHBondContact O-N 3.28Å; L208-K210 VanDerWaalsContact C-N 3.33Å; L208-K210 PolarHBondContact O-N 2.9Å; L208-K211 CarbonylContact O-C 3.58Å; L208-K211 WeakPolarHBondContact O-CB 3.14Å; L208-K211 PolarHBondContact O-N 3.46Å; L208-K211 VanDerWaalsContact O-N 3.07Å; L208-E212 WeakPolarHBondContact O-CB 3.43Å; L208-E212 WeakPolarHBondContact O-CG 3.45Å; L208-E212 PolarHBondContact O-N 3.24Å |
| 209 | L | 79.4 | Confident | 80.5 | Confident | 54 Ų | 54 | 90.9 Ų | 90.9 | 28% | 0.283 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.2 | -37 | 179.3 | -168.8 | 138.7 | 0 | 0 | 0 | 112.6 | K205 K211 S213 L216 L217 | K205-L209 VanDerWaalsContact O-CB 3.32Å; K205-L209 WeakPolarHBondContact O-CB 3.45Å; K205-L209 PolarHBondContact O-N 2.99Å; L209-K211 VanDerWaalsContact C-N 3.35Å; L209-S213 CarbonylContact O-C 3.33Å; L209-S213 PolarHBondContact O-N 2.99Å; L209-L216 HydrophobicContact CD1-CD2 3.96Å; L209-L216 HydrophobicContact CD2-CD2 4.08Å; L209-L216 HydrophobicContact CG-CD2 4.09Å; L209-L217 HydrophobicContact CD2-CD2 3.86Å; L209-L217 HydrophobicContact CD2-CG 4.12Å |
| 210 | K | 80.1 | Confident | 80.9 | Confident | 126 Ų | 126 | 85.3 Ų | 85.3 | 55% | 0.548 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.2 | -33.6 | 172.4 | -76.4 | -179.6 | 178.3 | -167.4 | 0 | 113 | M206 K207 L208 L217 | M206-K210 WeakPolarHBondContact O-CB 3.29Å; M206-K210 VanDerWaalsContact O-CG 3.27Å; M206-K210 WeakPolarHBondContact O-CG 3.46Å; M206-K210 PolarHBondContact O-N 3.16Å; K207-K210 PolarHBondContact O-N 2.89Å; L208-K210 VanDerWaalsContact C-N 3.33Å; L208-K210 PolarHBondContact O-N 2.9Å; K210-L217 HydrophobicContact CG-CD1 3.98Å |
| 211 | K | 82.3 | Confident | 81.8 | Confident | 175 Ų | 175 | 89 Ų | 89 | 76% | 0.761 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -73.4 | -40.7 | 175.1 | -73.2 | 177.2 | 177.8 | -168.8 | 0 | 111.9 | K207 L208 L209 | K207-K211 VanDerWaalsContact O-CG 3.3Å; K207-K211 WeakPolarHBondContact O-CG 3.36Å; K207-K211 PolarHBondContact O-N 3.46Å; L208-K211 CarbonylContact O-C 3.58Å; L208-K211 WeakPolarHBondContact O-CB 3.14Å; L208-K211 PolarHBondContact O-N 3.46Å; L208-K211 VanDerWaalsContact O-N 3.07Å; L209-K211 VanDerWaalsContact C-N 3.35Å |
| 212 | E | 75.1 | Confident | 81.8 | Confident | 136 Ų | 136 | 89.3 Ų | 89.3 | 64% | 0.636 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -82.7 | -30.1 | -175.8 | -71.3 | 179.4 | 177.2 | 0 | 0 | 113.6 | L208 | L208-E212 WeakPolarHBondContact O-CB 3.43Å; L208-E212 WeakPolarHBondContact O-CG 3.45Å; L208-E212 PolarHBondContact O-N 3.24Å |
| 213 | S | 73.7 | Confident | 82.3 | Confident | 7 Ų | 7 | 84.9 Ų | 84.9 | 5% | 0.049 | 40% | 0.403 | C | S | . | . | trans | -162.7 | 87.4 | -180 | 54.3 | 0 | 0 | 0 | 0 | 111.9 | L209 E215 L216 | L209-S213 CarbonylContact O-C 3.33Å; L209-S213 PolarHBondContact O-N 2.99Å; S213-E215 VanDerWaalsContact C-N 3.27Å; S213-E215 PolarHBondContact O-N 3.15Å; S213-L216 WeakPolarHBondContact O-CB 3.48Å; S213-L216 PolarHBondContact O-N 3.45Å; S213-L216 WeakPolarHBondContact OG-CB 3.46Å | ||
| 214 | P | 78.4 | Confident | 82.6 | Confident | 83 Ų | 83 | 83.5 Ų | 83.5 | 54% | 0.539 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -35.1 | 170.1 | 24.8 | -32.1 | 0 | 0 | 0 | 112.1 | L216 L217 | P214-L216 PolarHBondContact O-N 3.46Å; P214-L217 PolarHBondContact O-N 3.16Å |
| 215 | E | 79.1 | Confident | 83 | Confident | 92 Ų | 92 | 81.5 Ų | 81.5 | 43% | 0.43 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -57.2 | -31.2 | 178 | -60 | 176.3 | 169.7 | 0 | 0 | 113.5 | S213 L217 E218 L219 | S213-E215 VanDerWaalsContact C-N 3.27Å; S213-E215 PolarHBondContact O-N 3.15Å; E215-L217 VanDerWaalsContact C-N 3.25Å; E215-L217 PolarHBondContact O-N 3.25Å; E215-E218 PolarHBondContact O-N 2.83Å; E215-L219 WeakPolarHBondContact O-CG 3.46Å; E215-L219 PolarHBondContact O-N 2.97Å |
| 216 | L | 83.3 | Confident | 83.2 | Confident | 12 Ų | 12 | 79.7 Ų | 79.7 | 6% | 0.063 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.8 | -35 | -176.6 | 174.9 | 61.1 | 0 | 0 | 0 | 111.9 | L209 S213 P214 I220 Y272 L273 | L209-L216 HydrophobicContact CD1-CD2 3.96Å; L209-L216 HydrophobicContact CD2-CD2 4.08Å; L209-L216 HydrophobicContact CG-CD2 4.09Å; S213-L216 WeakPolarHBondContact O-CB 3.48Å; S213-L216 PolarHBondContact O-N 3.45Å; S213-L216 WeakPolarHBondContact OG-CB 3.46Å; P214-L216 PolarHBondContact O-N 3.46Å; L216-I220 HydrophobicContact CD1-CD1 3.88Å; L216-I220 HydrophobicContact CD1-CG1 4.11Å; L216-I220 HydrophobicContact CG-CD1 3.89Å; L216-I220 WeakPolarHBondContact O-CD1 3.36Å; L216-I220 WeakPolarHBondContact O-CG1 3.33Å; L216-I220 PolarHBondContact O-N 3.49Å; L216-Y272 HydrophobicContact CB-CE1 4.45Å; L216-Y272 HydrophobicContact CD1-CD1 4.26Å; L216-Y272 HydrophobicContact CD1-CE1 3.94Å; L216-L273 HydrophobicContact CD1-CD2 3.37Å |
| 217 | L | 83.9 | Confident | 83.6 | Confident | 53 Ų | 53 | 77.9 Ų | 77.9 | 28% | 0.277 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.4 | -41.5 | -179.4 | -67.8 | 177.7 | 0 | 0 | 0 | 111.4 | M206 L209 K210 P214 E215 I220 Q221 | M206-L217 HydrophobicContact CE-CD2 4.4Å; L209-L217 HydrophobicContact CD2-CD2 3.86Å; L209-L217 HydrophobicContact CD2-CG 4.12Å; K210-L217 HydrophobicContact CG-CD1 3.98Å; P214-L217 PolarHBondContact O-N 3.16Å; E215-L217 VanDerWaalsContact C-N 3.25Å; E215-L217 PolarHBondContact O-N 3.25Å; L217-I220 PolarHBondContact O-N 2.99Å; L217-Q221 WeakPolarHBondContact O-CG 3.3Å; L217-Q221 PolarHBondContact O-N 2.94Å |
| 218 | E | 86.3 | Confident | 83.8 | Confident | 120 Ų | 120 | 74.6 Ų | 74.6 | 56% | 0.561 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.9 | -47.9 | 175.8 | -64.4 | -178.8 | -178.2 | 0 | 0 | 110.3 | E215 I220 Q221 D222 | E215-E218 PolarHBondContact O-N 2.83Å; E218-I220 VanDerWaalsContact C-N 3.28Å; E218-I220 PolarHBondContact O-N 2.85Å; E218-Q221 WeakPolarHBondContact O-CB 3.36Å; E218-Q221 PolarHBondContact O-N 3.49Å; E218-D222 PolarHBondContact O-N 2.9Å |
| 219 | L | 85.7 | Confident | 84.1 | Confident | 27 Ų | 27 | 74.9 Ų | 74.9 | 14% | 0.141 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.6 | -34.9 | 178.1 | -71.4 | 169.4 | 0 | 0 | 0 | 113.2 | E215 F223 Y272 L291 | E215-L219 WeakPolarHBondContact O-CG 3.46Å; E215-L219 PolarHBondContact O-N 2.97Å; L219-F223 VanDerWaalsContact O-CB 3.26Å; L219-F223 WeakPolarHBondContact O-CB 3.4Å; L219-F223 PolarHBondContact O-N 3.32Å; L219-Y272 HydrophobicContact CD1-CD1 3.98Å; L219-Y272 HydrophobicContact CD1-CE1 3.78Å; L219-L291 HydrophobicContact CD2-CD1 4.41Å |
| 220 | I | 86.9 | Confident | 84.4 | Confident | 56 Ų | 56 | 73.6 Ų | 73.6 | 29% | 0.287 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -69.3 | -38.3 | 175.9 | -72.2 | 166.2 | 0 | 0 | 0 | 111.4 | L216 L217 E218 K224 L273 | L216-I220 HydrophobicContact CD1-CD1 3.88Å; L216-I220 HydrophobicContact CD1-CG1 4.11Å; L216-I220 HydrophobicContact CG-CD1 3.89Å; L216-I220 WeakPolarHBondContact O-CD1 3.36Å; L216-I220 WeakPolarHBondContact O-CG1 3.33Å; L216-I220 PolarHBondContact O-N 3.49Å; L217-I220 PolarHBondContact O-N 2.99Å; E218-I220 VanDerWaalsContact C-N 3.28Å; E218-I220 PolarHBondContact O-N 2.85Å; I220-K224 WeakPolarHBondContact O-CG 3.29Å; I220-K224 PolarHBondContact O-N 3.49Å; I220-K224 VanDerWaalsContact O-N 3.09Å; I220-L273 HydrophobicContact CD1-CD2 4.35Å; I220-L273 HydrophobicContact CG1-CD2 4.16Å |
| 221 | Q | 88.2 | Confident | 84.7 | Confident | 135 Ų | 135 | 73.8 Ų | 73.8 | 63% | 0.631 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -66.4 | -46.5 | 176.4 | -69.7 | 177.2 | 6.8 | 0 | 0 | 110.2 | L217 E218 F223 K224 A225 | L217-Q221 WeakPolarHBondContact O-CG 3.3Å; L217-Q221 PolarHBondContact O-N 2.94Å; E218-Q221 WeakPolarHBondContact O-CB 3.36Å; E218-Q221 PolarHBondContact O-N 3.49Å; Q221-F223 VanDerWaalsContact C-N 3.31Å; Q221-F223 PolarHBondContact O-N 3.5Å; Q221-K224 PolarHBondContact O-N 3.29Å; Q221-K224 VanDerWaalsContact O-N 3.14Å; Q221-A225 PolarHBondContact O-N 3.41Å |
| 222 | D | 87.2 | Confident | 84.9 | Confident | 55 Ų | 55 | 70.5 Ų | 70.5 | 29% | 0.294 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.9 | -42.6 | 175.5 | -71.8 | -7.1 | 0 | 0 | 0 | 111.6 | E218 K224 A225 K226 | E218-D222 PolarHBondContact O-N 2.9Å; D222-K224 VanDerWaalsContact C-N 3.35Å; D222-K224 PolarHBondContact O-N 3.03Å; D222-A225 PolarHBondContact O-N 2.87Å; D222-K226 WeakPolarHBondContact O-CG 3.38Å; D222-K226 PolarHBondContact O-N 3.28Å |
| 223 | F | 89.2 | Confident | 85.1 | Confident | 48 Ų | 48 | 67.9 Ų | 67.9 | 21% | 0.211 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60 | -43.8 | 176 | -177.1 | -107.8 | 0 | 0 | 0 | 112.3 | L219 Q221 L227 C266 I269 | L219-F223 VanDerWaalsContact O-CB 3.26Å; L219-F223 WeakPolarHBondContact O-CB 3.4Å; L219-F223 PolarHBondContact O-N 3.32Å; Q221-F223 VanDerWaalsContact C-N 3.31Å; Q221-F223 PolarHBondContact O-N 3.5Å; F223-L227 HydrophobicContact CD1-CD1 3.81Å; F223-L227 HydrophobicContact CD1-CG 4.49Å; F223-L227 HydrophobicContact CE1-CD1 3.29Å; F223-L227 HydrophobicContact CE1-CG 4.21Å; F223-L227 HydrophobicContact CE2-CD1 4.19Å; F223-L227 HydrophobicContact CE2-CG 4.34Å; F223-L227 HydrophobicContact CG-CD1 4.46Å; F223-L227 HydrophobicContact CZ-CD1 3.51Å; F223-L227 HydrophobicContact CZ-CG 4.14Å; F223-L227 WeakPolarHBondContact O-CB 3.31Å; F223-L227 VanDerWaalsContact O-CG 3.29Å; F223-L227 WeakPolarHBondContact O-CG 3.21Å; F223-L227 PolarHBondContact O-N 3.24Å; F223-C266 HydrophobicContact CD2-CB 4.16Å; F223-C266 HydrophobicContact CE2-CB 3.74Å; F223-C266 WeakPolarHBondContact CE2-O 3.46Å; F223-I269 HydrophobicContact CB-CD1 4.08Å; F223-I269 HydrophobicContact CB-CG2 4.05Å; F223-I269 HydrophobicContact CD2-CB 4.03Å; F223-I269 HydrophobicContact CD2-CD1 4.17Å; F223-I269 HydrophobicContact CD2-CG2 4.01Å; F223-I269 HydrophobicContact CG-CG2 4.21Å |
| 224 | K | 90.9 | Very high | 85.5 | Confident | 140 Ų | 140 | 67.6 Ų | 67.6 | 61% | 0.609 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -64.1 | -44.1 | 176.8 | -74.5 | 178.7 | 179.8 | -179 | 0 | 111.4 | I220 Q221 D222 L227 T228 | I220-K224 WeakPolarHBondContact O-CG 3.29Å; I220-K224 PolarHBondContact O-N 3.49Å; I220-K224 VanDerWaalsContact O-N 3.09Å; Q221-K224 PolarHBondContact O-N 3.29Å; Q221-K224 VanDerWaalsContact O-N 3.14Å; D222-K224 VanDerWaalsContact C-N 3.35Å; D222-K224 PolarHBondContact O-N 3.03Å; K224-L227 PolarHBondContact O-N 2.89Å; K224-T228 PolarHBondContact O-N 2.85Å; K224-T228 PolarHBondContact O-OG1 2.69Å |
| 225 | A | 89.4 | Confident | 85.7 | Confident | 40 Ų | 40 | 68.8 Ų | 68.8 | 33% | 0.331 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63 | -46.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q221 D222 L227 T228 E229 | Q221-A225 PolarHBondContact O-N 3.41Å; D222-A225 PolarHBondContact O-N 2.87Å; A225-L227 VanDerWaalsContact C-N 3.31Å; A225-L227 PolarHBondContact O-N 3.26Å; A225-T228 WeakPolarHBondContact CA-OG1 3.11Å; A225-T228 PolarHBondContact O-N 2.87Å; A225-T228 PolarHBondContact O-OG1 3.41Å; A225-E229 WeakPolarHBondContact O-CG 3.28Å; A225-E229 PolarHBondContact O-N 3.05Å |
| 226 | K | 86.4 | Confident | 85.9 | Confident | 31 Ų | 31 | 66 Ų | 66 | 14% | 0.135 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.2 | -29.2 | 177.5 | -63.6 | -53.7 | 178 | -167.6 | 0 | 113.2 | D222 E229 L230 Y262 Y265 | D222-K226 WeakPolarHBondContact O-CG 3.38Å; D222-K226 PolarHBondContact O-N 3.28Å; K226-E229 WeakPolarHBondContact CD-OE2 3.45Å; K226-E229 VanDerWaalsContact NZ-CD 3.32Å; K226-E229 IonicContact NZ-OE1 2.74Å; K226-E229 PolarHBondContact NZ-OE1 3.2Å; K226-E229 IonicContact NZ-OE2 3.54Å; K226-E229 PolarHBondContact NZ-OE2 3.21Å; K226-L230 VanDerWaalsContact O-CB 3.3Å; K226-L230 WeakPolarHBondContact O-CB 3.39Å; K226-L230 WeakPolarHBondContact O-CD1 3.46Å; K226-L230 VanDerWaalsContact O-CG 3.26Å; K226-L230 WeakPolarHBondContact O-CG 3.42Å; K226-L230 PolarHBondContact O-N 3.42Å; K226-Y262 HydrophobicContact CD-CD1 4.43Å; K226-Y262 HydrophobicContact CD-CE1 4.1Å; K226-Y262 HydrophobicContact CD-CE2 4.38Å; K226-Y262 PolarHBondContact NZ-OH 3.18Å; K226-Y265 HydrophobicContact CG-CD1 4.07Å; K226-Y265 HydrophobicContact CG-CE1 4.05Å |
| 227 | L | 86.8 | Confident | 85.4 | Confident | 57 Ų | 57 | 66 Ų | 66 | 30% | 0.298 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -71.3 | -35.6 | 170.8 | -77.6 | -177.7 | 0 | 0 | 0 | 113.5 | F223 K224 A225 L230 K231 | F223-L227 HydrophobicContact CD1-CD1 3.81Å; F223-L227 HydrophobicContact CD1-CG 4.49Å; F223-L227 HydrophobicContact CE1-CD1 3.29Å; F223-L227 HydrophobicContact CE1-CG 4.21Å; F223-L227 HydrophobicContact CE2-CD1 4.19Å; F223-L227 HydrophobicContact CE2-CG 4.34Å; F223-L227 HydrophobicContact CG-CD1 4.46Å; F223-L227 HydrophobicContact CZ-CD1 3.51Å; F223-L227 HydrophobicContact CZ-CG 4.14Å; F223-L227 WeakPolarHBondContact O-CB 3.31Å; F223-L227 VanDerWaalsContact O-CG 3.29Å; F223-L227 WeakPolarHBondContact O-CG 3.21Å; F223-L227 PolarHBondContact O-N 3.24Å; K224-L227 PolarHBondContact O-N 2.89Å; A225-L227 VanDerWaalsContact C-N 3.31Å; A225-L227 PolarHBondContact O-N 3.26Å; L227-L230 HydrophobicContact CD2-CD1 4.36Å; L227-K231 WeakPolarHBondContact O-CG 3.32Å; L227-K231 PolarHBondContact O-N 3.47Å; L227-K231 VanDerWaalsContact O-N 3.16Å |
| 228 | T | 88.6 | Confident | 85 | Confident | 74 Ų | 74 | 64.8 Ų | 64.8 | 45% | 0.454 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.5 | -45.9 | 174 | 47.7 | 0 | 0 | 0 | 0 | 110.7 | K224 A225 L230 K231 D232 | K224-T228 PolarHBondContact O-N 2.85Å; K224-T228 PolarHBondContact O-OG1 2.69Å; A225-T228 WeakPolarHBondContact CA-OG1 3.11Å; A225-T228 PolarHBondContact O-N 2.87Å; A225-T228 PolarHBondContact O-OG1 3.41Å; T228-L230 VanDerWaalsContact C-N 3.31Å; T228-L230 PolarHBondContact O-N 3.33Å; T228-K231 PolarHBondContact O-N 3.28Å; T228-K231 VanDerWaalsContact O-N 3.15Å; T228-D232 WeakPolarHBondContact O-CB 3.3Å; T228-D232 VanDerWaalsContact O-CG 3.28Å; T228-D232 PolarHBondContact O-N 3.42Å |
| 229 | E | 86 | Confident | 84.8 | Confident | 51 Ų | 51 | 64 Ų | 64 | 24% | 0.238 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.5 | -42.1 | 174 | -70.4 | 174 | -150.2 | 0 | 0 | 112 | A225 K226 K231 E233 L234 Y262 | A225-E229 WeakPolarHBondContact O-CG 3.28Å; A225-E229 PolarHBondContact O-N 3.05Å; K226-E229 WeakPolarHBondContact CD-OE2 3.45Å; K226-E229 VanDerWaalsContact NZ-CD 3.32Å; K226-E229 IonicContact NZ-OE1 2.74Å; K226-E229 PolarHBondContact NZ-OE1 3.2Å; K226-E229 IonicContact NZ-OE2 3.54Å; K226-E229 PolarHBondContact NZ-OE2 3.21Å; E229-K231 PolarHBondContact O-N 3.19Å; E229-E233 WeakPolarHBondContact O-CB 3.41Å; E229-E233 PolarHBondContact O-N 3.48Å; E229-L234 PolarHBondContact O-N 2.94Å; E229-Y262 HydrophobicContact CB-CE2 4.35Å; E229-Y262 VanDerWaalsContact OE2-CE2 3.29Å; E229-Y262 WeakPolarHBondContact OE2-CE2 3.47Å; E229-Y262 PolarHBondContact OE2-OH 3.26Å |
| 230 | L | 85.4 | Confident | 84.2 | Confident | 27 Ų | 27 | 63.9 Ų | 63.9 | 14% | 0.141 | 32% | 0.318 | C | S | . | . | I | π-helix | trans | -61.5 | -41.5 | 177.1 | -85.9 | 166.8 | 0 | 0 | 0 | 113 | K226 L227 T228 L234 E235 R259 Y262 | K226-L230 VanDerWaalsContact O-CB 3.3Å; K226-L230 WeakPolarHBondContact O-CB 3.39Å; K226-L230 WeakPolarHBondContact O-CD1 3.46Å; K226-L230 VanDerWaalsContact O-CG 3.26Å; K226-L230 WeakPolarHBondContact O-CG 3.42Å; K226-L230 PolarHBondContact O-N 3.42Å; L227-L230 HydrophobicContact CD2-CD1 4.36Å; T228-L230 VanDerWaalsContact C-N 3.31Å; T228-L230 PolarHBondContact O-N 3.33Å; L230-L234 HydrophobicContact CD2-CB 4.27Å; L230-L234 HydrophobicContact CD2-CD1 3.53Å; L230-L234 HydrophobicContact CG-CD1 4.26Å; L230-L234 PolarHBondContact O-N 2.88Å; L230-E235 WeakPolarHBondContact O-CB 3.39Å; L230-E235 PolarHBondContact O-N 2.85Å; L230-R259 HydrophobicContact CD2-CG 4.22Å; L230-Y262 HydrophobicContact CD2-CD2 4.22Å; L230-Y262 HydrophobicContact CG-CD2 4.1Å |
| 231 | K | 86.4 | Confident | 83.7 | Confident | 130 Ų | 130 | 62.5 Ų | 62.5 | 57% | 0.565 | 31% | 0.312 | S | S | * | . | I | π-helix | trans | -78.9 | -41.1 | -177.8 | -73.4 | 178.1 | 179.4 | -177.6 | 0 | 112.6 | L227 T228 E229 P236 | L227-K231 WeakPolarHBondContact O-CG 3.32Å; L227-K231 PolarHBondContact O-N 3.47Å; L227-K231 VanDerWaalsContact O-N 3.16Å; T228-K231 PolarHBondContact O-N 3.28Å; T228-K231 VanDerWaalsContact O-N 3.15Å; E229-K231 PolarHBondContact O-N 3.19Å; K231-P236 WeakPolarHBondContact O-CD 3.26Å |
| 232 | D | 85.6 | Confident | 83.1 | Confident | 106 Ų | 106 | 63.4 Ų | 63.4 | 57% | 0.567 | 31% | 0.313 | S | S | * | . | I | π-helix | trans | -85.6 | -33.9 | -171.2 | -60.9 | -23.6 | 0 | 0 | 0 | 111.6 | T228 P236 | T228-D232 WeakPolarHBondContact O-CB 3.3Å; T228-D232 VanDerWaalsContact O-CG 3.28Å; T228-D232 PolarHBondContact O-N 3.42Å; D232-P236 WeakPolarHBondContact O-CG 3.42Å |
| 233 | E | 79.9 | Confident | 82.7 | Confident | 81 Ų | 81 | 66.5 Ų | 66.5 | 38% | 0.379 | 33% | 0.33 | S | S | . | . | I | π-helix | trans | -108.3 | -52.8 | -175.8 | -54.7 | -178 | 166.7 | 0 | 0 | 112.5 | E229 P236 M237 | E229-E233 WeakPolarHBondContact O-CB 3.41Å; E229-E233 PolarHBondContact O-N 3.48Å; E233-P236 WeakPolarHBondContact O-CG 3.35Å; E233-M237 HydrophobicContact CB-CE 4.27Å; E233-M237 WeakPolarHBondContact O-CB 3.44Å; E233-M237 VanDerWaalsContact O-CE 3.3Å; E233-M237 WeakPolarHBondContact O-CE 3.48Å; E233-M237 VanDerWaalsContact O-CG 3.23Å; E233-M237 WeakPolarHBondContact O-CG 3.25Å; E233-M237 PolarHBondContact O-N 3.46Å |
| 234 | L | 82.1 | Confident | 81.6 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | I | π-helix | trans | -81.7 | -35 | -168.5 | -65.8 | 173 | 0 | 0 | 0 | 113.4 | E229 L230 M237 M238 L255 K258 Y262 | E229-L234 PolarHBondContact O-N 2.94Å; L230-L234 HydrophobicContact CD2-CB 4.27Å; L230-L234 HydrophobicContact CD2-CD1 3.53Å; L230-L234 HydrophobicContact CG-CD1 4.26Å; L230-L234 PolarHBondContact O-N 2.88Å; L234-M237 HydrophobicContact CD2-CE 4.17Å; L234-M238 VanDerWaalsContact O-CB 3.3Å; L234-M238 WeakPolarHBondContact O-CB 3.38Å; L234-M238 PolarHBondContact O-N 3.42Å; L234-L255 HydrophobicContact CD2-CD1 3.35Å; L234-L255 HydrophobicContact CD2-CG 4.2Å; L234-K258 HydrophobicContact CD1-CG 4.24Å; L234-K258 HydrophobicContact CD2-CD 4.03Å; L234-K258 HydrophobicContact CD2-CG 4.22Å; L234-Y262 HydrophobicContact CD1-CD2 3.39Å; L234-Y262 HydrophobicContact CD1-CE2 3.85Å; L234-Y262 HydrophobicContact CD1-CG 4.39Å |
| 235 | E | 82.1 | Confident | 80.4 | Confident | 108 Ų | 108 | 66.1 Ų | 66.1 | 51% | 0.505 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.1 | -49.4 | 177.4 | -171.6 | 155 | -153.3 | 0 | 0 | 113.2 | L230 M238 Q239 | L230-E235 WeakPolarHBondContact O-CB 3.39Å; L230-E235 PolarHBondContact O-N 2.85Å; E235-M238 PolarHBondContact O-N 2.7Å; E235-Q239 WeakPolarHBondContact O-CG 3.47Å; E235-Q239 PolarHBondContact O-N 3.2Å; E235-Q239 VanDerWaalsContact O-N 3.09Å |
| 236 | P | 84.2 | Confident | 79 | Confident | 35 Ų | 35 | 66.4 Ų | 66.4 | 23% | 0.227 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 175.7 | 23.7 | -32 | 0 | 0 | 0 | 112 | K231 D232 E233 M238 Q239 M240 | K231-P236 WeakPolarHBondContact O-CD 3.26Å; D232-P236 WeakPolarHBondContact O-CG 3.42Å; E233-P236 WeakPolarHBondContact O-CG 3.35Å; P236-M238 VanDerWaalsContact C-N 3.34Å; P236-M238 PolarHBondContact O-N 3.04Å; P236-Q239 WeakPolarHBondContact O-CA 3.42Å; P236-Q239 WeakPolarHBondContact O-CB 3.39Å; P236-Q239 PolarHBondContact O-N 3.19Å; P236-Q239 VanDerWaalsContact O-N 3.1Å; P236-M240 HydrophobicContact CB-CE 4.31Å; P236-M240 WeakPolarHBondContact O-CG 3.41Å; P236-M240 PolarHBondContact O-N 3.05Å |
| 237 | M | 71.9 | Confident | 78 | Confident | 11 Ų | 11 | 70 Ų | 70 | 5% | 0.054 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.1 | -37.4 | 176.6 | -72.8 | -160.9 | -79.4 | 0 | 0 | 112.7 | E233 L234 Q239 M240 V241 L255 F312 | E233-M237 HydrophobicContact CB-CE 4.27Å; E233-M237 WeakPolarHBondContact O-CB 3.44Å; E233-M237 VanDerWaalsContact O-CE 3.3Å; E233-M237 WeakPolarHBondContact O-CE 3.48Å; E233-M237 VanDerWaalsContact O-CG 3.23Å; E233-M237 WeakPolarHBondContact O-CG 3.25Å; E233-M237 PolarHBondContact O-N 3.46Å; L234-M237 HydrophobicContact CD2-CE 4.17Å; M237-Q239 VanDerWaalsContact C-N 3.26Å; M237-Q239 PolarHBondContact O-N 3.21Å; M237-M240 HydrophobicContact CG-SD 4.43Å; M237-M240 WeakPolarHBondContact O-CB 3.4Å; M237-M240 PolarHBondContact O-N 2.84Å; M237-M240 VanDerWaalsContact O-N 3.13Å; M237-V241 WeakPolarHBondContact O-CG2 3.17Å; M237-V241 PolarHBondContact O-N 2.88Å; M237-L255 HydrophobicContact CB-CD1 3.98Å; M237-L255 HydrophobicContact CB-CD2 3.53Å; M237-L255 HydrophobicContact CB-CG 4.4Å; M237-L255 HydrophobicContact CE-CD1 3.5Å; M237-L255 HydrophobicContact SD-CD1 3.95Å; M237-F312 HydrophobicContact CE-CD1 3.73Å; M237-F312 HydrophobicContact CE-CE1 3.65Å; M237-F312 HydrophobicContact CE-CG 4.42Å; M237-F312 HydrophobicContact CE-CZ 4.32Å; M237-F312 HydrophobicContact SD-CD1 3.27Å; M237-F312 WeakPolarHBondContact SD-CD1 3.35Å; M237-F312 HydrophobicContact SD-CE1 3.35Å; M237-F312 WeakPolarHBondContact SD-CE1 3.18Å; M237-F312 HydrophobicContact SD-CG 4.35Å; M237-F312 HydrophobicContact SD-CZ 4.49Å |
| 238 | M | 77 | Confident | 76.8 | Confident | 28 Ų | 28 | 72.4 Ų | 72.4 | 14% | 0.138 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.9 | -34.5 | 173.6 | -167.8 | 70.1 | -165.1 | 0 | 0 | 111.4 | L234 E235 P236 K242 E256 | L234-M238 VanDerWaalsContact O-CB 3.3Å; L234-M238 WeakPolarHBondContact O-CB 3.38Å; L234-M238 PolarHBondContact O-N 3.42Å; E235-M238 PolarHBondContact O-N 2.7Å; P236-M238 VanDerWaalsContact C-N 3.34Å; P236-M238 PolarHBondContact O-N 3.04Å; M238-K242 HydrophobicContact CE-CG 4.44Å; M238-K242 HydrophobicContact CG-CD 4.41Å; M238-K242 WeakPolarHBondContact O-CB 3.3Å; M238-K242 VanDerWaalsContact O-CG 3.24Å; M238-K242 WeakPolarHBondContact O-CG 3.48Å; M238-K242 PolarHBondContact O-N 3.45Å; M238-E256 HydrophobicContact CE-CG 4.12Å; M238-E256 HydrophobicContact SD-CG 4.25Å |
| 239 | Q | 80.1 | Confident | 76.1 | Confident | 104 Ų | 104 | 70.4 Ų | 70.4 | 49% | 0.486 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 172.6 | -67.5 | 175.1 | 13.4 | 0 | 0 | 111 | E235 P236 M237 K242 N243 | E235-Q239 WeakPolarHBondContact O-CG 3.47Å; E235-Q239 PolarHBondContact O-N 3.2Å; E235-Q239 VanDerWaalsContact O-N 3.09Å; P236-Q239 WeakPolarHBondContact O-CA 3.42Å; P236-Q239 WeakPolarHBondContact O-CB 3.39Å; P236-Q239 PolarHBondContact O-N 3.19Å; P236-Q239 VanDerWaalsContact O-N 3.1Å; M237-Q239 VanDerWaalsContact C-N 3.26Å; M237-Q239 PolarHBondContact O-N 3.21Å; Q239-K242 PolarHBondContact O-N 3.29Å; Q239-N243 VanDerWaalsContact O-CB 3.23Å; Q239-N243 WeakPolarHBondContact O-CB 3.42Å; Q239-N243 PolarHBondContact O-N 3.38Å; Q239-N243 PolarHBondContact O-ND2 3.34Å; Q239-N243 VanDerWaalsContact O-ND2 3.11Å; Q239-N243 PolarHBondContact O-OD1 3.12Å |
| 240 | M | 73.1 | Confident | 75.7 | Confident | 24 Ų | 24 | 76.4 Ų | 76.4 | 12% | 0.118 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 175.1 | -62.9 | 166.4 | -164 | 0 | 0 | 113.2 | P236 M237 N243 G244 K245 I246 D319 | P236-M240 HydrophobicContact CB-CE 4.31Å; P236-M240 WeakPolarHBondContact O-CG 3.41Å; P236-M240 PolarHBondContact O-N 3.05Å; M237-M240 HydrophobicContact CG-SD 4.43Å; M237-M240 WeakPolarHBondContact O-CB 3.4Å; M237-M240 PolarHBondContact O-N 2.84Å; M237-M240 VanDerWaalsContact O-N 3.13Å; M240-N243 PolarHBondContact O-N 3.19Å; M240-G244 PolarHBondContact O-N 3.41Å; M240-G244 VanDerWaalsContact O-N 3.16Å; M240-K245 PolarHBondContact O-N 3.32Å; M240-I246 HydrophobicContact CB-CD1 4.44Å; M240-D319 HydrophobicContact CE-CB 3.95Å; M240-D319 WeakPolarHBondContact CE-OD2 3.34Å |
| 241 | V | 76.9 | Confident | 75.3 | Confident | 26 Ų | 26 | 79.9 Ų | 79.9 | 16% | 0.158 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64.2 | -45 | 174.1 | 173 | 0 | 0 | 0 | 0 | 110.3 | M237 N243 G244 I246 A252 L255 | M237-V241 WeakPolarHBondContact O-CG2 3.17Å; M237-V241 PolarHBondContact O-N 2.88Å; V241-N243 VanDerWaalsContact C-N 3.33Å; V241-N243 PolarHBondContact O-N 2.92Å; V241-G244 PolarHBondContact O-N 2.69Å; V241-G244 VanDerWaalsContact O-N 3.13Å; V241-I246 HydrophobicContact CG2-CB 4.39Å; V241-I246 HydrophobicContact CG2-CD1 4.04Å; V241-A252 HydrophobicContact CG1-CB 4.03Å; V241-A252 HydrophobicContact CG2-CB 4.47Å; V241-L255 HydrophobicContact CG2-CD2 3.87Å |
| 242 | K | 76.9 | Confident | 75 | Confident | 154 Ų | 154 | 74 Ų | 74 | 67% | 0.67 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.7 | -34.2 | 175.9 | -73.9 | 173.8 | 179.7 | 179.1 | 0 | 113.2 | M238 Q239 G244 | M238-K242 HydrophobicContact CE-CG 4.44Å; M238-K242 HydrophobicContact CG-CD 4.41Å; M238-K242 WeakPolarHBondContact O-CB 3.3Å; M238-K242 VanDerWaalsContact O-CG 3.24Å; M238-K242 WeakPolarHBondContact O-CG 3.48Å; M238-K242 PolarHBondContact O-N 3.45Å; Q239-K242 PolarHBondContact O-N 3.29Å; K242-G244 PolarHBondContact O-N 3.32Å |
| 243 | N | 77.9 | Confident | 75 | Confident | 121 Ų | 121 | 73.5 Ų | 73.5 | 65% | 0.647 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -7.1 | 176.6 | -66.5 | -18.3 | 0 | 0 | 0 | 112.4 | Q239 M240 V241 K245 | Q239-N243 VanDerWaalsContact O-CB 3.23Å; Q239-N243 WeakPolarHBondContact O-CB 3.42Å; Q239-N243 PolarHBondContact O-N 3.38Å; Q239-N243 PolarHBondContact O-ND2 3.34Å; Q239-N243 VanDerWaalsContact O-ND2 3.11Å; Q239-N243 PolarHBondContact O-OD1 3.12Å; M240-N243 PolarHBondContact O-N 3.19Å; V241-N243 VanDerWaalsContact C-N 3.33Å; V241-N243 PolarHBondContact O-N 2.92Å; N243-K245 PolarHBondContact O-N 2.89Å |
| 244 | G | 66.6 | Low | 75.3 | Confident | 58 Ų | 58 | 71.3 Ų | 71.3 | 60% | 0.598 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 17.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | M240 V241 K242 I246 | M240-G244 PolarHBondContact O-N 3.41Å; M240-G244 VanDerWaalsContact O-N 3.16Å; V241-G244 PolarHBondContact O-N 2.69Å; V241-G244 VanDerWaalsContact O-N 3.13Å; K242-G244 PolarHBondContact O-N 3.32Å; G244-I246 VanDerWaalsContact C-N 3.31Å |
| 245 | K | 64.6 | Low | 75.4 | Confident | 121 Ų | 121 | 71.7 Ų | 71.7 | 53% | 0.526 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -71.7 | -27.6 | 172.7 | -70.2 | -168.6 | -176.6 | -174.1 | 0 | 112 | M240 N243 D319 D322 | M240-K245 PolarHBondContact O-N 3.32Å; N243-K245 PolarHBondContact O-N 2.89Å; K245-D319 IonicContact NZ-OD1 3.84Å; K245-D319 PolarHBondContact NZ-OD1 3.29Å; K245-D322 IonicContact NZ-OD2 2.74Å |
| 246 | I | 60.2 | Low | 75.6 | Confident | 47 Ų | 47 | 69.8 Ų | 69.8 | 24% | 0.241 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -105.4 | 124.2 | 175.5 | -56.4 | 174.2 | 0 | 0 | 0 | 107.8 | M240 V241 G244 | M240-I246 HydrophobicContact CB-CD1 4.44Å; V241-I246 HydrophobicContact CG2-CB 4.39Å; V241-I246 HydrophobicContact CG2-CD1 4.04Å; G244-I246 VanDerWaalsContact C-N 3.31Å |
| 247 | P | 66.2 | Low | 75.8 | Confident | 107 Ų | 107 | 71.6 Ų | 71.6 | 70% | 0.695 | 39% | 0.393 | S | S | * | . | trans | -64 | 141.4 | 175.9 | 25.7 | -32.1 | 0 | 0 | 0 | 110.5 | G249 | P247-G249 PolarHBondContact O-N 2.65Š| ||
| 248 | A | 61.4 | Low | 76.6 | Confident | 107 Ų | 107 | 71.4 Ų | 71.4 | 88% | 0.884 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -58.1 | 113.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 249 | G | 73.9 | Confident | 77.2 | Confident | 32 Ų | 32 | 73.9 Ų | 73.9 | 33% | 0.33 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -164.4 | -176.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | P247 W251 A252 D253 | P247-G249 PolarHBondContact O-N 2.65Å; G249-W251 PolarHBondContact O-N 3.02Å; G249-A252 PolarHBondContact O-N 3.39Å; G249-D253 PolarHBondContact O-N 3.27Å |
| 250 | Q | 77.8 | Confident | 77.8 | Confident | 176 Ų | 176 | 73.4 Ų | 73.4 | 82% | 0.822 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -52.5 | -27 | -175.4 | -62.2 | 175.3 | 25.1 | 0 | 0 | 113.4 | Y254 | Q250-Y254 VanDerWaalsContact O-CB 3.31Å; Q250-Y254 WeakPolarHBondContact O-CB 3.25Å; Q250-Y254 PolarHBondContact O-N 2.97Å |
| 251 | W | 76.2 | Confident | 78.6 | Confident | 101 Ų | 101 | 73.3 Ų | 73.3 | 38% | 0.383 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -70.2 | -40.4 | 174.8 | -91.4 | 84.6 | 0 | 0 | 0 | 114.8 | G249 Y254 L255 L308 E311 F312 | G249-W251 PolarHBondContact O-N 3.02Å; W251-Y254 PolarHBondContact O-N 3.05Å; W251-L255 PolarHBondContact O-N 2.9Å; W251-L308 HydrophobicContact CH2-CB 3.85Å; W251-L308 HydrophobicContact CH2-CD1 3.88Å; W251-L308 HydrophobicContact CH2-CD2 3.38Å; W251-L308 HydrophobicContact CH2-CG 3.86Å; W251-L308 HydrophobicContact CZ2-CD1 4.19Å; W251-L308 HydrophobicContact CZ2-CD2 3.23Å; W251-L308 HydrophobicContact CZ2-CG 4.16Å; W251-L308 HydrophobicContact CZ3-CB 4.42Å; W251-L308 HydrophobicContact CZ3-CD1 4.13Å; W251-L308 HydrophobicContact CZ3-CD2 4.4Å; W251-E311 HydrophobicContact CH2-CB 4.25Å; W251-E311 VanDerWaalsContact CH2-OE2 3.32Å; W251-E311 WeakPolarHBondContact CH2-OE2 3.34Å; W251-E311 WeakPolarHBondContact CZ2-OE2 3.45Å; W251-F312 HydrophobicContact CE3-CE1 4.26Å; W251-F312 HydrophobicContact CE3-CZ 4.42Å; W251-F312 HydrophobicContact CH2-CE1 4.46Å; W251-F312 HydrophobicContact CH2-CZ 4.4Å; W251-F312 HydrophobicContact CZ3-CD1 4.21Å; W251-F312 AromaticContact CZ3-CE1 3.5Å; W251-F312 HydrophobicContact CZ3-CE1 3.5Å; W251-F312 HydrophobicContact CZ3-CE2 4.45Å; W251-F312 AromaticContact CZ3-CZ 3.63Å; W251-F312 HydrophobicContact CZ3-CZ 3.63Å |
| 252 | A | 80.5 | Confident | 79.3 | Confident | 5 Ų | 5 | 72.3 Ų | 72.3 | 4% | 0.041 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -68.6 | -42.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110 | V241 G249 Y254 L255 E256 | V241-A252 HydrophobicContact CG1-CB 4.03Å; V241-A252 HydrophobicContact CG2-CB 4.47Å; G249-A252 PolarHBondContact O-N 3.39Å; A252-Y254 VanDerWaalsContact C-N 3.33Å; A252-Y254 PolarHBondContact O-N 3.24Å; A252-L255 PolarHBondContact O-N 3.16Å; A252-E256 WeakPolarHBondContact O-CG 3.47Å; A252-E256 PolarHBondContact O-N 2.93Å |
| 253 | D | 84.6 | Confident | 80 | Confident | 96 Ų | 96 | 68.6 Ų | 68.6 | 51% | 0.513 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 175.9 | -62.5 | -15.9 | 0 | 0 | 0 | 111.5 | G249 E256 T257 | G249-D253 PolarHBondContact O-N 3.27Å; D253-E256 PolarHBondContact O-N 2.9Å; D253-T257 WeakPolarHBondContact O-CB 3.22Å; D253-T257 VanDerWaalsContact O-CG2 3.27Å; D253-T257 WeakPolarHBondContact O-CG2 3.46Å; D253-T257 PolarHBondContact O-N 3.43Å; D253-T257 PolarHBondContact O-OG1 3.39Å |
| 254 | Y | 86.3 | Confident | 80.7 | Confident | 36 Ų | 36 | 65.9 Ų | 65.9 | 14% | 0.141 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 173.1 | 179.1 | -101.7 | 0 | 0 | 0 | 111.8 | Q250 W251 A252 E256 T257 K258 L301 V304 D305 L308 | Q250-Y254 VanDerWaalsContact O-CB 3.31Å; Q250-Y254 WeakPolarHBondContact O-CB 3.25Å; Q250-Y254 PolarHBondContact O-N 2.97Å; W251-Y254 PolarHBondContact O-N 3.05Å; A252-Y254 VanDerWaalsContact C-N 3.33Å; A252-Y254 PolarHBondContact O-N 3.24Å; Y254-E256 VanDerWaalsContact C-N 3.33Å; Y254-E256 PolarHBondContact O-N 3.26Å; Y254-T257 WeakPolarHBondContact CA-OG1 3.42Å; Y254-T257 PolarHBondContact O-N 2.9Å; Y254-T257 PolarHBondContact O-OG1 2.92Å; Y254-K258 HydrophobicContact CE1-CD 4.2Å; Y254-K258 VanDerWaalsContact O-CB 3.24Å; Y254-K258 WeakPolarHBondContact O-CB 3.48Å; Y254-K258 PolarHBondContact O-N 2.88Å; Y254-L301 HydrophobicContact CE2-CD2 3.64Å; Y254-V304 HydrophobicContact CE2-CG1 3.95Å; Y254-D305 PolarHBondContact OH-OD1 3.13Å; Y254-L308 HydrophobicContact CD1-CD1 4.04Å; Y254-L308 HydrophobicContact CE1-CD1 3.72Å |
| 255 | L | 84.9 | Confident | 81.9 | Confident | 9 Ų | 9 | 63.5 Ų | 63.5 | 5% | 0.047 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64 | -40.4 | 177.8 | -168.2 | 77.1 | 0 | 0 | 0 | 111.7 | L234 M237 V241 W251 A252 R259 | L234-L255 HydrophobicContact CD2-CD1 3.35Å; L234-L255 HydrophobicContact CD2-CG 4.2Å; M237-L255 HydrophobicContact CB-CD1 3.98Å; M237-L255 HydrophobicContact CB-CD2 3.53Å; M237-L255 HydrophobicContact CB-CG 4.4Å; M237-L255 HydrophobicContact CE-CD1 3.5Å; M237-L255 HydrophobicContact SD-CD1 3.95Å; V241-L255 HydrophobicContact CG2-CD2 3.87Å; W251-L255 PolarHBondContact O-N 2.9Å; A252-L255 PolarHBondContact O-N 3.16Å; L255-R259 VanDerWaalsContact O-CB 3.28Å; L255-R259 WeakPolarHBondContact O-CB 3.39Å; L255-R259 PolarHBondContact O-N 3.25Å |
| 256 | E | 86.4 | Confident | 83.2 | Confident | 67 Ų | 67 | 58.3 Ų | 58.3 | 31% | 0.313 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 177 | -76.2 | -171.3 | -174.9 | 0 | 0 | 112.1 | M238 A252 D253 Y254 R259 Q260 | M238-E256 HydrophobicContact CE-CG 4.12Å; M238-E256 HydrophobicContact SD-CG 4.25Å; A252-E256 WeakPolarHBondContact O-CG 3.47Å; A252-E256 PolarHBondContact O-N 2.93Å; D253-E256 PolarHBondContact O-N 2.9Å; Y254-E256 VanDerWaalsContact C-N 3.33Å; Y254-E256 PolarHBondContact O-N 3.26Å; E256-R259 PolarHBondContact O-N 3.39Å; E256-Q260 WeakPolarHBondContact O-CB 3.47Å; E256-Q260 VanDerWaalsContact O-CG 3.23Å; E256-Q260 WeakPolarHBondContact O-CG 3.47Å; E256-Q260 PolarHBondContact O-N 3.11Å |
| 257 | T | 88.5 | Confident | 84.7 | Confident | 73 Ų | 73 | 58.8 Ų | 58.8 | 45% | 0.448 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.4 | -42.2 | 177.2 | 51.8 | 0 | 0 | 0 | 0 | 111.4 | D253 Y254 R259 Q260 L261 | D253-T257 WeakPolarHBondContact O-CB 3.22Å; D253-T257 VanDerWaalsContact O-CG2 3.27Å; D253-T257 WeakPolarHBondContact O-CG2 3.46Å; D253-T257 PolarHBondContact O-N 3.43Å; D253-T257 PolarHBondContact O-OG1 3.39Å; Y254-T257 WeakPolarHBondContact CA-OG1 3.42Å; Y254-T257 PolarHBondContact O-N 2.9Å; Y254-T257 PolarHBondContact O-OG1 2.92Å; T257-R259 PolarHBondContact O-N 3Å; T257-Q260 PolarHBondContact O-N 3.4Å; T257-L261 WeakPolarHBondContact O-CB 3.46Å; T257-L261 PolarHBondContact O-N 3.35Å |
| 258 | K | 88.5 | Confident | 85.9 | Confident | 8 Ų | 8 | 54.7 Ų | 54.7 | 4% | 0.035 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.4 | -45.6 | 173.3 | -177.3 | 172.6 | 175.1 | 176.9 | 0 | 111.6 | L234 Y254 L261 Y262 D305 | L234-K258 HydrophobicContact CD1-CG 4.24Å; L234-K258 HydrophobicContact CD2-CD 4.03Å; L234-K258 HydrophobicContact CD2-CG 4.22Å; Y254-K258 HydrophobicContact CE1-CD 4.2Å; Y254-K258 VanDerWaalsContact O-CB 3.24Å; Y254-K258 WeakPolarHBondContact O-CB 3.48Å; Y254-K258 PolarHBondContact O-N 2.88Å; K258-L261 PolarHBondContact O-N 2.76Å; K258-Y262 HydrophobicContact CG-CE2 4.33Å; K258-Y262 PolarHBondContact O-N 2.99Å; K258-D305 VanDerWaalsContact CE-OD2 3.29Å; K258-D305 WeakPolarHBondContact CE-OD2 3.33Å; K258-D305 IonicContact NZ-OD1 2.76Å; K258-D305 PolarHBondContact NZ-OD1 3.28Å; K258-D305 IonicContact NZ-OD2 2.85Å; K258-D305 PolarHBondContact NZ-OD2 2.97Å |
| 259 | R | 90.2 | Very high | 87.2 | Confident | 79 Ų | 79 | 49.6 Ų | 49.6 | 30% | 0.298 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 174.9 | -174.1 | -167.3 | 67.3 | 80 | 2.1 | 111.7 | L230 L255 E256 T257 L261 L263 | L230-R259 HydrophobicContact CD2-CG 4.22Å; L255-R259 VanDerWaalsContact O-CB 3.28Å; L255-R259 WeakPolarHBondContact O-CB 3.39Å; L255-R259 PolarHBondContact O-N 3.25Å; E256-R259 PolarHBondContact O-N 3.39Å; T257-R259 PolarHBondContact O-N 3Å; R259-L261 VanDerWaalsContact C-N 3.32Å; R259-L261 PolarHBondContact O-N 3.25Å; R259-L263 VanDerWaalsContact O-CB 3.23Å; R259-L263 WeakPolarHBondContact O-CB 3.34Å; R259-L263 PolarHBondContact O-N 3.2Å |
| 260 | Q | 91.4 | Very high | 88 | Confident | 94 Ų | 94 | 50.6 Ų | 50.6 | 44% | 0.439 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 177.1 | -74.7 | 174.5 | 17.6 | 0 | 0 | 111.1 | E256 T257 L263 N264 | E256-Q260 WeakPolarHBondContact O-CB 3.47Å; E256-Q260 VanDerWaalsContact O-CG 3.23Å; E256-Q260 WeakPolarHBondContact O-CG 3.47Å; E256-Q260 PolarHBondContact O-N 3.11Å; T257-Q260 PolarHBondContact O-N 3.4Å; Q260-L263 PolarHBondContact O-N 2.96Å; Q260-N264 VanDerWaalsContact O-CB 3.3Å; Q260-N264 WeakPolarHBondContact O-CB 3.48Å; Q260-N264 PolarHBondContact O-N 3.2Å; Q260-N264 PolarHBondContact O-ND2 3.4Å |
| 261 | L | 91.6 | Very high | 88.6 | Confident | 23 Ų | 23 | 46.2 Ų | 46.2 | 12% | 0.12 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.9 | -50.8 | 178.8 | -170.5 | 150.6 | 0 | 0 | 0 | 111.7 | T257 K258 R259 L263 N264 Y265 L297 I298 L301 | T257-L261 WeakPolarHBondContact O-CB 3.46Å; T257-L261 PolarHBondContact O-N 3.35Å; K258-L261 PolarHBondContact O-N 2.76Å; R259-L261 VanDerWaalsContact C-N 3.32Å; R259-L261 PolarHBondContact O-N 3.25Å; L261-L263 VanDerWaalsContact C-N 3.31Å; L261-L263 PolarHBondContact O-N 2.9Å; L261-N264 PolarHBondContact O-N 2.9Å; L261-Y265 WeakPolarHBondContact O-CB 3.49Å; L261-Y265 PolarHBondContact O-N 3.2Å; L261-L297 HydrophobicContact CD1-CB 3.67Å; L261-L297 HydrophobicContact CD1-CD1 4.11Å; L261-I298 HydrophobicContact CD2-CD1 4.03Å; L261-I298 HydrophobicContact CD2-CG1 3.42Å; L261-I298 VanDerWaalsContact CD2-CG1 3.42Å; L261-L301 HydrophobicContact CD1-CD1 3.79Å |
| 262 | Y | 90.8 | Very high | 89.1 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 2% | 0.02 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.2 | -37.5 | 177.4 | -75.4 | -3.5 | 0 | 0 | 0 | 112.3 | K226 E229 L230 L234 K258 Y265 C266 I298 | K226-Y262 HydrophobicContact CD-CD1 4.43Å; K226-Y262 HydrophobicContact CD-CE1 4.1Å; K226-Y262 HydrophobicContact CD-CE2 4.38Å; K226-Y262 PolarHBondContact NZ-OH 3.18Å; E229-Y262 HydrophobicContact CB-CE2 4.35Å; E229-Y262 VanDerWaalsContact OE2-CE2 3.29Å; E229-Y262 WeakPolarHBondContact OE2-CE2 3.47Å; E229-Y262 PolarHBondContact OE2-OH 3.26Å; L230-Y262 HydrophobicContact CD2-CD2 4.22Å; L230-Y262 HydrophobicContact CG-CD2 4.1Å; L234-Y262 HydrophobicContact CD1-CD2 3.39Å; L234-Y262 HydrophobicContact CD1-CE2 3.85Å; L234-Y262 HydrophobicContact CD1-CG 4.39Å; K258-Y262 HydrophobicContact CG-CE2 4.33Å; K258-Y262 PolarHBondContact O-N 2.99Å; Y262-Y265 PolarHBondContact O-N 3.36Å; Y262-C266 VanDerWaalsContact O-CB 3.28Å; Y262-C266 WeakPolarHBondContact O-CB 3.43Å; Y262-C266 PolarHBondContact O-N 2.98Å; Y262-C266 PolarHBondContact O-SG 2.98Å; Y262-I298 HydrophobicContact CD1-CD1 4.35Å; Y262-I298 HydrophobicContact CD1-CG1 4.32Å; Y262-I298 HydrophobicContact CE1-CD1 4.26Å; Y262-I298 HydrophobicContact CE1-CG1 3.98Å; Y262-I298 HydrophobicContact CE1-CG2 4.38Å |
| 263 | L | 91.2 | Very high | 89.4 | Confident | 75 Ų | 75 | 44.1 Ų | 44.1 | 39% | 0.393 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.6 | -46.5 | 175.1 | -164.5 | 158.4 | 0 | 0 | 0 | 110.6 | R259 Q260 L261 Y265 C266 T267 | R259-L263 VanDerWaalsContact O-CB 3.23Å; R259-L263 WeakPolarHBondContact O-CB 3.34Å; R259-L263 PolarHBondContact O-N 3.2Å; Q260-L263 PolarHBondContact O-N 2.96Å; L261-L263 VanDerWaalsContact C-N 3.31Å; L261-L263 PolarHBondContact O-N 2.9Å; L263-Y265 PolarHBondContact O-N 3.43Å; L263-C266 PolarHBondContact O-N 2.99Å; L263-T267 HydrophobicContact CD2-CG2 3.75Å; L263-T267 VanDerWaalsContact O-CG2 3.32Å; L263-T267 WeakPolarHBondContact O-CG2 3.36Å; L263-T267 PolarHBondContact O-N 3.37Å; L263-T267 PolarHBondContact O-OG1 2.93Å |
| 264 | N | 92.8 | Very high | 89.6 | Confident | 65 Ų | 65 | 42.7 Ų | 42.7 | 35% | 0.348 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 176.9 | -74.2 | -39.5 | 0 | 0 | 0 | 111.7 | Q260 L261 T267 N268 Y294 | Q260-N264 VanDerWaalsContact O-CB 3.3Å; Q260-N264 WeakPolarHBondContact O-CB 3.48Å; Q260-N264 PolarHBondContact O-N 3.2Å; Q260-N264 PolarHBondContact O-ND2 3.4Å; L261-N264 PolarHBondContact O-N 2.9Å; N264-T267 WeakPolarHBondContact CA-OG1 3.46Å; N264-T267 PolarHBondContact O-N 2.92Å; N264-T267 PolarHBondContact O-OG1 3.49Å; N264-N268 PolarHBondContact O-N 3.45Å; N264-Y294 HydrophobicContact CB-CE1 4.36Å; N264-Y294 HydrophobicContact CB-CE2 3.8Å |
| 265 | Y | 92.5 | Very high | 89.7 | Confident | 8 Ų | 8 | 41.5 Ų | 41.5 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.1 | -50.7 | 173.6 | -176.5 | -119.6 | 0 | 0 | 0 | 111.7 | K226 L261 Y262 L263 T267 N268 I269 L291 Y294 I298 | K226-Y265 HydrophobicContact CG-CD1 4.07Å; K226-Y265 HydrophobicContact CG-CE1 4.05Å; L261-Y265 WeakPolarHBondContact O-CB 3.49Å; L261-Y265 PolarHBondContact O-N 3.2Å; Y262-Y265 PolarHBondContact O-N 3.36Å; L263-Y265 PolarHBondContact O-N 3.43Å; Y265-T267 VanDerWaalsContact C-N 3.32Å; Y265-T267 PolarHBondContact O-N 3.44Å; Y265-N268 PolarHBondContact O-N 2.96Å; Y265-I269 HydrophobicContact CD1-CD1 3.8Å; Y265-I269 HydrophobicContact CD2-CD1 4.41Å; Y265-I269 HydrophobicContact CE1-CD1 3.43Å; Y265-I269 VanDerWaalsContact CE1-CD1 3.43Å; Y265-I269 HydrophobicContact CE2-CD1 4.08Å; Y265-I269 HydrophobicContact CE2-CG1 4.4Å; Y265-I269 HydrophobicContact CG-CD1 4.29Å; Y265-I269 WeakPolarHBondContact O-CG1 3.08Å; Y265-I269 PolarHBondContact O-N 3.32Å; Y265-L291 HydrophobicContact CD2-CD2 3.77Å; Y265-L291 HydrophobicContact CE2-CD2 3.68Å; Y265-Y294 HydrophobicContact CD2-CD2 4.25Å; Y265-Y294 HydrophobicContact CD2-CG 4.44Å; Y265-I298 HydrophobicContact CD1-CD1 3.92Å; Y265-I298 HydrophobicContact CD2-CD1 4.39Å; Y265-I298 HydrophobicContact CE1-CD1 4.16Å; Y265-I298 HydrophobicContact CG-CD1 4.03Å |
| 266 | C | 90.8 | Very high | 89.6 | Confident | 11 Ų | 11 | 43.4 Ų | 43.4 | 7% | 0.074 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.6 | -41.2 | 176 | -76 | 0 | 0 | 0 | 0 | 112.4 | F223 Y262 L263 I269 S270 | F223-C266 HydrophobicContact CD2-CB 4.16Å; F223-C266 HydrophobicContact CE2-CB 3.74Å; F223-C266 WeakPolarHBondContact CE2-O 3.46Å; Y262-C266 VanDerWaalsContact O-CB 3.28Å; Y262-C266 WeakPolarHBondContact O-CB 3.43Å; Y262-C266 PolarHBondContact O-N 2.98Å; Y262-C266 PolarHBondContact O-SG 2.98Å; L263-C266 PolarHBondContact O-N 2.99Å; C266-I269 PolarHBondContact O-N 2.93Å; C266-S270 WeakPolarHBondContact O-CB 3.38Å; C266-S270 PolarHBondContact O-N 3.34Å |
| 267 | T | 91.4 | Very high | 89.5 | Confident | 57 Ų | 57 | 44.1 Ų | 44.1 | 35% | 0.35 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.7 | -40.2 | 177 | 56.4 | 0 | 0 | 0 | 0 | 112.1 | L263 N264 Y265 S270 F271 | L263-T267 HydrophobicContact CD2-CG2 3.75Å; L263-T267 VanDerWaalsContact O-CG2 3.32Å; L263-T267 WeakPolarHBondContact O-CG2 3.36Å; L263-T267 PolarHBondContact O-N 3.37Å; L263-T267 PolarHBondContact O-OG1 2.93Å; N264-T267 WeakPolarHBondContact CA-OG1 3.46Å; N264-T267 PolarHBondContact O-N 2.92Å; N264-T267 PolarHBondContact O-OG1 3.49Å; Y265-T267 VanDerWaalsContact C-N 3.32Å; Y265-T267 PolarHBondContact O-N 3.44Å; T267-S270 WeakPolarHBondContact CA-OG 3.26Å; T267-S270 PolarHBondContact O-N 3.21Å; T267-S270 PolarHBondContact O-OG 3.05Å; T267-F271 PolarHBondContact O-N 3.24Å |
| 268 | N | 91.3 | Very high | 89.3 | Confident | 21 Ų | 21 | 47.8 Ų | 47.8 | 11% | 0.112 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.3 | -37.4 | 177.1 | -79.1 | -4.7 | 0 | 0 | 0 | 112.4 | N264 Y265 S270 F271 Y272 V287 R290 L291 Y294 | N264-N268 PolarHBondContact O-N 3.45Å; Y265-N268 PolarHBondContact O-N 2.96Å; N268-S270 VanDerWaalsContact C-N 3.34Å; N268-F271 PolarHBondContact O-N 3.41Å; N268-Y272 PolarHBondContact O-N 3.47Å; N268-V287 HydrophobicContact CB-CG1 4.41Å; N268-R290 WeakPolarHBondContact ND2-CB 3.4Å; N268-L291 HydrophobicContact CB-CD2 3.69Å; N268-L291 HydrophobicContact CB-CG 4.21Å; N268-Y294 WeakPolarHBondContact ND2-CE2 3.18Å |
| 269 | I | 90.5 | Very high | 88.9 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 171.5 | -63.2 | 168.6 | 0 | 0 | 0 | 110.1 | F223 Y265 C266 F271 Y272 L273 L291 | F223-I269 HydrophobicContact CB-CD1 4.08Å; F223-I269 HydrophobicContact CB-CG2 4.05Å; F223-I269 HydrophobicContact CD2-CB 4.03Å; F223-I269 HydrophobicContact CD2-CD1 4.17Å; F223-I269 HydrophobicContact CD2-CG2 4.01Å; F223-I269 HydrophobicContact CG-CG2 4.21Å; Y265-I269 HydrophobicContact CD1-CD1 3.8Å; Y265-I269 HydrophobicContact CD2-CD1 4.41Å; Y265-I269 HydrophobicContact CE1-CD1 3.43Å; Y265-I269 VanDerWaalsContact CE1-CD1 3.43Å; Y265-I269 HydrophobicContact CE2-CD1 4.08Å; Y265-I269 HydrophobicContact CE2-CG1 4.4Å; Y265-I269 HydrophobicContact CG-CD1 4.29Å; Y265-I269 WeakPolarHBondContact O-CG1 3.08Å; Y265-I269 PolarHBondContact O-N 3.32Å; C266-I269 PolarHBondContact O-N 2.93Å; I269-F271 PolarHBondContact O-N 3.05Å; I269-Y272 WeakPolarHBondContact O-CB 3.37Å; I269-Y272 PolarHBondContact O-N 3.37Å; I269-Y272 VanDerWaalsContact O-N 3.16Å; I269-L273 HydrophobicContact CG2-CD1 4.24Å; I269-L273 HydrophobicContact CG2-CG 4.42Å; I269-L273 WeakPolarHBondContact O-CG 3.48Å; I269-L273 PolarHBondContact O-N 3.48Å; I269-L291 HydrophobicContact CG1-CD2 3.59Å |
| 270 | S | 89.3 | Confident | 88.4 | Confident | 52 Ų | 52 | 54.2 Ų | 54.2 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.9 | -36.5 | 177.4 | 79.2 | 0 | 0 | 0 | 0 | 112.2 | C266 T267 N268 L273 V274 | C266-S270 WeakPolarHBondContact O-CB 3.38Å; C266-S270 PolarHBondContact O-N 3.34Å; T267-S270 WeakPolarHBondContact CA-OG 3.26Å; T267-S270 PolarHBondContact O-N 3.21Å; T267-S270 PolarHBondContact O-OG 3.05Å; N268-S270 VanDerWaalsContact C-N 3.34Å; S270-L273 WeakPolarHBondContact O-CB 3.28Å; S270-L273 PolarHBondContact O-N 3.08Å; S270-V274 WeakPolarHBondContact O-CG2 3.35Å; S270-V274 PolarHBondContact O-N 2.95Å |
| 271 | F | 90.1 | Very high | 87.7 | Confident | 84 Ų | 84 | 54.1 Ų | 54.1 | 37% | 0.368 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.3 | -41.4 | 175.1 | -177.2 | -89.8 | 0 | 0 | 0 | 111.8 | T267 N268 I269 L273 V274 L275 H285 V287 | T267-F271 PolarHBondContact O-N 3.24Å; N268-F271 PolarHBondContact O-N 3.41Å; I269-F271 PolarHBondContact O-N 3.05Å; F271-L273 VanDerWaalsContact C-N 3.29Å; F271-L273 PolarHBondContact O-N 3.34Å; F271-V274 WeakPolarHBondContact O-CB 3.29Å; F271-V274 PolarHBondContact O-N 3.46Å; F271-V274 VanDerWaalsContact O-N 3.12Å; F271-L275 HydrophobicContact CD1-CD1 3.92Å; F271-L275 HydrophobicContact CD1-CG 4.03Å; F271-L275 HydrophobicContact CE1-CD1 3.5Å; F271-L275 VanDerWaalsContact CE1-CD1 3.5Å; F271-L275 HydrophobicContact CE1-CD2 3.92Å; F271-L275 HydrophobicContact CE1-CG 3.64Å; F271-L275 HydrophobicContact CZ-CD1 4.39Å; F271-L275 HydrophobicContact CZ-CD2 3.99Å; F271-L275 HydrophobicContact CZ-CG 4.18Å; F271-L275 WeakPolarHBondContact O-CG 3.44Å; F271-L275 PolarHBondContact O-N 2.88Å; F271-H285 AromaticContact CE1-CE1 3.29Å; F271-H285 WeakPolarHBondContact CE1-CE1 3.46Å; F271-H285 AromaticContact CE1-ND1 3.88Å; F271-H285 AromaticContact CE1-NE2 3.4Å; F271-H285 WeakPolarHBondContact CE1-NE2 3.29Å; F271-H285 AromaticContact CZ-CE1 3.85Å; F271-H285 AromaticContact CZ-NE2 3.62Å; F271-V287 HydrophobicContact CD1-CB 4.25Å; F271-V287 HydrophobicContact CD1-CG1 4.24Å; F271-V287 HydrophobicContact CD1-CG2 3.42Å; F271-V287 VanDerWaalsContact CD1-CG2 3.42Å; F271-V287 HydrophobicContact CE1-CG2 3.64Å; F271-V287 HydrophobicContact CG-CG2 4.46Å |
| 272 | Y | 88.5 | Confident | 86.5 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58 | -42.2 | 172.2 | -179.5 | -93.2 | 0 | 0 | 0 | 111.7 | L216 L219 N268 I269 V274 L275 K276 A282 I288 | L216-Y272 HydrophobicContact CB-CE1 4.45Å; L216-Y272 HydrophobicContact CD1-CD1 4.26Å; L216-Y272 HydrophobicContact CD1-CE1 3.94Å; L219-Y272 HydrophobicContact CD1-CD1 3.98Å; L219-Y272 HydrophobicContact CD1-CE1 3.78Å; N268-Y272 PolarHBondContact O-N 3.47Å; I269-Y272 WeakPolarHBondContact O-CB 3.37Å; I269-Y272 PolarHBondContact O-N 3.37Å; I269-Y272 VanDerWaalsContact O-N 3.16Å; Y272-V274 VanDerWaalsContact C-N 3.34Å; Y272-V274 PolarHBondContact O-N 3.04Å; Y272-L275 PolarHBondContact O-N 3.03Å; Y272-K276 HydrophobicContact CD1-CG 4.31Å; Y272-K276 HydrophobicContact CE1-CG 3.93Å; Y272-K276 PolarHBondContact O-N 2.84Å; Y272-K276 WeakPolarHBondContact OH-CE 3.33Å; Y272-A282 HydrophobicContact CD2-CB 4.12Å; Y272-A282 HydrophobicContact CE2-CB 3.55Å; Y272-I288 HydrophobicContact CE2-CG1 4.35Å |
| 273 | L | 86.8 | Confident | 85.5 | Confident | 58 Ų | 58 | 59.1 Ų | 59.1 | 30% | 0.304 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 174.2 | -69.8 | 171.3 | 0 | 0 | 0 | 112.1 | L216 I220 I269 S270 F271 K276 A277 | L216-L273 HydrophobicContact CD1-CD2 3.37Å; I220-L273 HydrophobicContact CD1-CD2 4.35Å; I220-L273 HydrophobicContact CG1-CD2 4.16Å; I269-L273 HydrophobicContact CG2-CD1 4.24Å; I269-L273 HydrophobicContact CG2-CG 4.42Å; I269-L273 WeakPolarHBondContact O-CG 3.48Å; I269-L273 PolarHBondContact O-N 3.48Å; S270-L273 WeakPolarHBondContact O-CB 3.28Å; S270-L273 PolarHBondContact O-N 3.08Å; F271-L273 VanDerWaalsContact C-N 3.29Å; F271-L273 PolarHBondContact O-N 3.34Å; L273-K276 PolarHBondContact O-N 3.22Å; L273-A277 WeakPolarHBondContact O-CB 3.33Å; L273-A277 PolarHBondContact O-N 3.02Å |
| 274 | V | 88.3 | Confident | 84.7 | Confident | 66 Ų | 66 | 63 Ų | 63 | 40% | 0.4 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 176 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | S270 F271 Y272 A277 K278 | S270-V274 WeakPolarHBondContact O-CG2 3.35Å; S270-V274 PolarHBondContact O-N 2.95Å; F271-V274 WeakPolarHBondContact O-CB 3.29Å; F271-V274 PolarHBondContact O-N 3.46Å; F271-V274 VanDerWaalsContact O-N 3.12Å; Y272-V274 VanDerWaalsContact C-N 3.34Å; Y272-V274 PolarHBondContact O-N 3.04Å; V274-A277 PolarHBondContact O-N 3.44Å; V274-K278 HydrophobicContact CG1-CD 4.16Å; V274-K278 WeakPolarHBondContact O-CB 3.05Å; V274-K278 WeakPolarHBondContact O-CG 3.47Å; V274-K278 PolarHBondContact O-N 3.15Å |
| 275 | L | 87.4 | Confident | 84.3 | Confident | 11 Ų | 11 | 62.5 Ų | 62.5 | 6% | 0.058 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 175.8 | -71.3 | 179.2 | 0 | 0 | 0 | 111.7 | F271 Y272 K278 R279 I280 H285 | F271-L275 HydrophobicContact CD1-CD1 3.92Å; F271-L275 HydrophobicContact CD1-CG 4.03Å; F271-L275 HydrophobicContact CE1-CD1 3.5Å; F271-L275 VanDerWaalsContact CE1-CD1 3.5Å; F271-L275 HydrophobicContact CE1-CD2 3.92Å; F271-L275 HydrophobicContact CE1-CG 3.64Å; F271-L275 HydrophobicContact CZ-CD1 4.39Å; F271-L275 HydrophobicContact CZ-CD2 3.99Å; F271-L275 HydrophobicContact CZ-CG 4.18Å; F271-L275 WeakPolarHBondContact O-CG 3.44Å; F271-L275 PolarHBondContact O-N 2.88Å; Y272-L275 PolarHBondContact O-N 3.03Å; L275-K278 CarbonylContact O-C 3.52Å; L275-K278 PolarHBondContact O-N 2.91Å; L275-R279 PolarHBondContact O-N 2.97Å; L275-R279 VanDerWaalsContact O-N 3.12Å; L275-I280 HydrophobicContact CD2-CB 4.46Å; L275-I280 HydrophobicContact CD2-CD1 4.12Å; L275-I280 PolarHBondContact O-N 3.13Å; L275-I280 VanDerWaalsContact O-N 3.13Å; L275-H285 HydrophobicContact CD1-CB 3.98Å |
| 276 | K | 83.3 | Confident | 84.2 | Confident | 49 Ų | 49 | 64.8 Ų | 64.8 | 21% | 0.213 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 176.2 | -71.5 | -67.6 | -171.3 | 175.3 | 0 | 111.6 | Y272 L273 K278 R279 A282 | Y272-K276 HydrophobicContact CD1-CG 4.31Å; Y272-K276 HydrophobicContact CE1-CG 3.93Å; Y272-K276 PolarHBondContact O-N 2.84Å; Y272-K276 WeakPolarHBondContact OH-CE 3.33Å; L273-K276 PolarHBondContact O-N 3.22Å; K276-K278 VanDerWaalsContact C-N 3.28Å; K276-K278 PolarHBondContact O-N 3.23Å; K276-R279 PolarHBondContact O-N 3.32Å; K276-A282 HydrophobicContact CD-CB 4.31Å |
| 277 | A | 85.5 | Confident | 84 | Confident | 83 Ų | 83 | 64.5 Ų | 64.5 | 69% | 0.686 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.7 | -35.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L273 V274 R279 | L273-A277 WeakPolarHBondContact O-CB 3.33Å; L273-A277 PolarHBondContact O-N 3.02Å; V274-A277 PolarHBondContact O-N 3.44Å; A277-R279 VanDerWaalsContact C-N 3.26Å; A277-R279 PolarHBondContact O-N 3.14Å |
| 278 | K | 84.5 | Confident | 83.8 | Confident | 150 Ų | 150 | 63.8 Ų | 63.8 | 65% | 0.652 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -1.8 | 175.2 | -70.3 | -179.8 | 178.9 | -179.4 | 0 | 114 | V274 L275 K276 I280 | V274-K278 HydrophobicContact CG1-CD 4.16Å; V274-K278 WeakPolarHBondContact O-CB 3.05Å; V274-K278 WeakPolarHBondContact O-CG 3.47Å; V274-K278 PolarHBondContact O-N 3.15Å; L275-K278 CarbonylContact O-C 3.52Å; L275-K278 PolarHBondContact O-N 2.91Å; K276-K278 VanDerWaalsContact C-N 3.28Å; K276-K278 PolarHBondContact O-N 3.23Å; K278-I280 HydrophobicContact CB-CD1 4.18Å; K278-I280 HydrophobicContact CB-CG1 4.2Å; K278-I280 PolarHBondContact O-N 3.11Å |
| 279 | R | 78.3 | Confident | 83.7 | Confident | 140 Ų | 140 | 69.2 Ų | 69.2 | 53% | 0.528 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 33.6 | -176.1 | -53.3 | -170.2 | -174.5 | -167.3 | 5.8 | 113.9 | L275 K276 A277 | L275-R279 PolarHBondContact O-N 2.97Å; L275-R279 VanDerWaalsContact O-N 3.12Å; K276-R279 PolarHBondContact O-N 3.32Å; A277-R279 VanDerWaalsContact C-N 3.26Å; A277-R279 PolarHBondContact O-N 3.14Å |
| 280 | I | 79.9 | Confident | 83.7 | Confident | 81 Ų | 81 | 75.6 Ų | 75.6 | 42% | 0.415 | 38% | 0.384 | S | S | . | . | trans | -83.7 | 130.8 | 169.2 | -60.7 | 170.7 | 0 | 0 | 0 | 106.8 | L275 K278 A282 | L275-I280 HydrophobicContact CD2-CB 4.46Å; L275-I280 HydrophobicContact CD2-CD1 4.12Å; L275-I280 PolarHBondContact O-N 3.13Å; L275-I280 VanDerWaalsContact O-N 3.13Å; K278-I280 HydrophobicContact CB-CD1 4.18Å; K278-I280 HydrophobicContact CB-CG1 4.2Å; K278-I280 PolarHBondContact O-N 3.11Å; I280-A282 PolarHBondContact O-N 3.01Å; I280-A282 VanDerWaalsContact O-N 3.14Å | ||
| 281 | P | 76.9 | Confident | 83.7 | Confident | 93 Ų | 93 | 73.8 Ų | 73.8 | 60% | 0.604 | 37% | 0.37 | S | S | * | . | trans | -59.4 | 120.7 | 176.7 | 24.7 | -33 | 0 | 0 | 0 | 109.1 | H283 | P281-H283 VanDerWaalsContact C-N 3.33Š| ||
| 282 | A | 66.9 | Low | 83.7 | Confident | 2 Ų | 2 | 74.3 Ų | 74.3 | 2% | 0.017 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -80.5 | -15.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y272 K276 I280 N284 H285 I288 | Y272-A282 HydrophobicContact CD2-CB 4.12Å; Y272-A282 HydrophobicContact CE2-CB 3.55Å; K276-A282 HydrophobicContact CD-CB 4.31Å; I280-A282 PolarHBondContact O-N 3.01Å; I280-A282 VanDerWaalsContact O-N 3.14Å; A282-N284 VanDerWaalsContact C-N 3.28Å; A282-N284 PolarHBondContact O-N 3.42Å; A282-H285 PolarHBondContact O-N 3.12Å; A282-I288 WeakPolarHBondContact O-CD1 3.34Å |
| 283 | H | 68.6 | Low | 83.9 | Confident | 131 Ų | 131 | 77.5 Ų | 77.5 | 61% | 0.606 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -37.5 | -174.8 | -66 | -66 | 0 | 0 | 0 | 113.2 | P281 | P281-H283 VanDerWaalsContact C-N 3.33Š|
| 284 | N | 76.3 | Confident | 84.1 | Confident | 155 Ų | 155 | 77.1 Ų | 77.1 | 83% | 0.829 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 11 | -174.7 | -59.7 | -0.7 | 0 | 0 | 0 | 113.1 | A282 | A282-N284 VanDerWaalsContact C-N 3.28Å; A282-N284 PolarHBondContact O-N 3.42Å |
| 285 | H | 84.3 | Confident | 84.3 | Confident | 55 Ų | 55 | 79.8 Ų | 79.8 | 26% | 0.255 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -96.3 | 132.9 | -177.9 | -161.8 | -71 | 0 | 0 | 0 | 111.1 | F271 L275 A282 V287 I288 | F271-H285 AromaticContact CE1-CE1 3.29Å; F271-H285 WeakPolarHBondContact CE1-CE1 3.46Å; F271-H285 AromaticContact CE1-ND1 3.88Å; F271-H285 AromaticContact CE1-NE2 3.4Å; F271-H285 WeakPolarHBondContact CE1-NE2 3.29Å; F271-H285 AromaticContact CZ-CE1 3.85Å; F271-H285 AromaticContact CZ-NE2 3.62Å; L275-H285 HydrophobicContact CD1-CB 3.98Å; A282-H285 PolarHBondContact O-N 3.12Å; H285-V287 WeakPolarHBondContact CE1-CG2 3.39Å; H285-V287 WeakPolarHBondContact ND1-CB 3.43Å; H285-V287 WeakPolarHBondContact ND1-CG2 3.32Å; H285-V287 PolarHBondContact ND1-N 3.2Å; H285-V287 VanDerWaalsContact ND1-N 3.15Å; H285-V287 PolarHBondContact O-N 2.95Å; H285-I288 PolarHBondContact O-N 2.89Å |
| 286 | P | 88.6 | Confident | 84.5 | Confident | 57 Ų | 57 | 83.6 Ų | 83.6 | 37% | 0.37 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 3 | 179.2 | 26.9 | -38.4 | 0 | 0 | 0 | 114.6 | I288 R290 | P286-I288 VanDerWaalsContact C-N 3.34Å; P286-R290 VanDerWaalsContact O-CG 3.31Å; P286-R290 WeakPolarHBondContact O-CG 3.28Å; P286-R290 PolarHBondContact O-N 3.26Å; P286-R290 VanDerWaalsContact O-N 3.16Å |
| 287 | V | 88 | Confident | 84.9 | Confident | 4 Ų | 4 | 84.6 Ų | 84.6 | 2% | 0.024 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -75.7 | -29.7 | 176.9 | 163.3 | 0 | 0 | 0 | 0 | 110.5 | N268 F271 H285 R290 L291 | N268-V287 HydrophobicContact CB-CG1 4.41Å; F271-V287 HydrophobicContact CD1-CB 4.25Å; F271-V287 HydrophobicContact CD1-CG1 4.24Å; F271-V287 HydrophobicContact CD1-CG2 3.42Å; F271-V287 VanDerWaalsContact CD1-CG2 3.42Å; F271-V287 HydrophobicContact CE1-CG2 3.64Å; F271-V287 HydrophobicContact CG-CG2 4.46Å; H285-V287 WeakPolarHBondContact CE1-CG2 3.39Å; H285-V287 WeakPolarHBondContact ND1-CB 3.43Å; H285-V287 WeakPolarHBondContact ND1-CG2 3.32Å; H285-V287 PolarHBondContact ND1-N 3.2Å; H285-V287 VanDerWaalsContact ND1-N 3.15Å; H285-V287 PolarHBondContact O-N 2.95Å; V287-R290 PolarHBondContact O-N 3.32Å; V287-L291 HydrophobicContact CG1-CD1 4Å; V287-L291 HydrophobicContact CG1-CG 4.26Å; V287-L291 WeakPolarHBondContact O-CB 3.35Å; V287-L291 WeakPolarHBondContact O-CG 3.47Å; V287-L291 PolarHBondContact O-N 3.45Å |
| 288 | I | 86.6 | Confident | 85.1 | Confident | 42 Ų | 42 | 81.4 Ų | 81.4 | 22% | 0.215 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.6 | -48.4 | 174.7 | -61.4 | 179.3 | 0 | 0 | 0 | 109.8 | Y272 A282 H285 P286 R290 L291 L292 | Y272-I288 HydrophobicContact CE2-CG1 4.35Å; A282-I288 WeakPolarHBondContact O-CD1 3.34Å; H285-I288 PolarHBondContact O-N 2.89Å; P286-I288 VanDerWaalsContact C-N 3.34Å; I288-R290 VanDerWaalsContact C-N 3.34Å; I288-R290 PolarHBondContact O-N 3.14Å; I288-L291 PolarHBondContact O-N 3.17Å; I288-L291 VanDerWaalsContact O-N 3.16Å; I288-L292 HydrophobicContact CG2-CD1 4.43Å; I288-L292 WeakPolarHBondContact O-CG 3.39Å; I288-L292 PolarHBondContact O-N 3Å |
| 289 | E | 90 | Very high | 85.3 | Confident | 136 Ų | 136 | 78.6 Ų | 78.6 | 64% | 0.636 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -55.4 | -49 | 174.1 | -67.1 | 173.1 | -169.5 | 0 | 0 | 111.4 | L291 L292 T293 | E289-L291 VanDerWaalsContact C-N 3.33Å; E289-L291 PolarHBondContact O-N 2.98Å; E289-L292 WeakPolarHBondContact O-CB 3.21Å; E289-L292 PolarHBondContact O-N 3.48Å; E289-L292 VanDerWaalsContact O-N 3.16Å; E289-T293 WeakPolarHBondContact O-CG2 3.38Å; E289-T293 PolarHBondContact O-N 3.37Å |
| 290 | R | 90.6 | Very high | 85.8 | Confident | 135 Ų | 135 | 78.2 Ų | 78.2 | 51% | 0.509 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.6 | -38.8 | 178.2 | -70.8 | 175.6 | 177 | 170.7 | 1.2 | 112.7 | N268 P286 V287 I288 L292 T293 Y294 | N268-R290 WeakPolarHBondContact ND2-CB 3.4Å; P286-R290 VanDerWaalsContact O-CG 3.31Å; P286-R290 WeakPolarHBondContact O-CG 3.28Å; P286-R290 PolarHBondContact O-N 3.26Å; P286-R290 VanDerWaalsContact O-N 3.16Å; V287-R290 PolarHBondContact O-N 3.32Å; I288-R290 VanDerWaalsContact C-N 3.34Å; I288-R290 PolarHBondContact O-N 3.14Å; R290-L292 VanDerWaalsContact C-N 3.34Å; R290-T293 WeakPolarHBondContact CA-OG1 3.39Å; R290-T293 PolarHBondContact O-N 3.02Å; R290-T293 PolarHBondContact O-OG1 3.4Å; R290-Y294 WeakPolarHBondContact O-CD2 3.44Å; R290-Y294 PolarHBondContact O-N 3.17Å |
| 291 | L | 89.1 | Confident | 86.1 | Confident | 13 Ų | 13 | 75.9 Ų | 75.9 | 7% | 0.068 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.1 | -39.6 | 175.9 | -74.3 | 171.7 | 0 | 0 | 0 | 111.7 | L219 Y265 N268 I269 V287 I288 E289 Y294 R295 | L219-L291 HydrophobicContact CD2-CD1 4.41Å; Y265-L291 HydrophobicContact CD2-CD2 3.77Å; Y265-L291 HydrophobicContact CE2-CD2 3.68Å; N268-L291 HydrophobicContact CB-CD2 3.69Å; N268-L291 HydrophobicContact CB-CG 4.21Å; I269-L291 HydrophobicContact CG1-CD2 3.59Å; V287-L291 HydrophobicContact CG1-CD1 4Å; V287-L291 HydrophobicContact CG1-CG 4.26Å; V287-L291 WeakPolarHBondContact O-CB 3.35Å; V287-L291 WeakPolarHBondContact O-CG 3.47Å; V287-L291 PolarHBondContact O-N 3.45Å; I288-L291 PolarHBondContact O-N 3.17Å; I288-L291 VanDerWaalsContact O-N 3.16Å; E289-L291 VanDerWaalsContact C-N 3.33Å; E289-L291 PolarHBondContact O-N 2.98Å; L291-Y294 PolarHBondContact O-N 3.23Å; L291-R295 WeakPolarHBondContact O-CB 3.49Å; L291-R295 PolarHBondContact O-N 3.12Å |
| 292 | L | 89.9 | Confident | 86.4 | Confident | 95 Ų | 95 | 74.5 Ų | 74.5 | 50% | 0.497 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64 | -44.4 | 173.6 | -67.5 | 172.2 | 0 | 0 | 0 | 111.4 | I288 E289 R290 Y294 R295 N296 | I288-L292 HydrophobicContact CG2-CD1 4.43Å; I288-L292 WeakPolarHBondContact O-CG 3.39Å; I288-L292 PolarHBondContact O-N 3Å; E289-L292 WeakPolarHBondContact O-CB 3.21Å; E289-L292 PolarHBondContact O-N 3.48Å; E289-L292 VanDerWaalsContact O-N 3.16Å; R290-L292 VanDerWaalsContact C-N 3.34Å; L292-Y294 VanDerWaalsContact C-N 3.34Å; L292-Y294 PolarHBondContact O-N 3.47Å; L292-R295 PolarHBondContact O-N 3.14Å; L292-N296 VanDerWaalsContact O-CG 3.29Å; L292-N296 PolarHBondContact O-N 2.99Å |
| 293 | T | 91.9 | Very high | 87.3 | Confident | 72 Ų | 72 | 77.1 Ų | 77.1 | 44% | 0.442 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.7 | -44 | 176.5 | 63.9 | 0 | 0 | 0 | 0 | 111.9 | E289 R290 N296 L297 | E289-T293 WeakPolarHBondContact O-CG2 3.38Å; E289-T293 PolarHBondContact O-N 3.37Å; R290-T293 WeakPolarHBondContact CA-OG1 3.39Å; R290-T293 PolarHBondContact O-N 3.02Å; R290-T293 PolarHBondContact O-OG1 3.4Å; T293-N296 PolarHBondContact O-N 3.29Å; T293-L297 WeakPolarHBondContact O-CG 3.4Å; T293-L297 PolarHBondContact O-N 3.29Å |
| 294 | Y | 92.3 | Very high | 88 | Confident | 49 Ų | 49 | 73.9 Ų | 73.9 | 19% | 0.192 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.4 | -38.8 | 176.8 | -68.6 | -32.8 | 0 | 0 | 0 | 112 | N264 Y265 N268 R290 L291 L292 N296 L297 I298 | N264-Y294 HydrophobicContact CB-CE1 4.36Å; N264-Y294 HydrophobicContact CB-CE2 3.8Å; Y265-Y294 HydrophobicContact CD2-CD2 4.25Å; Y265-Y294 HydrophobicContact CD2-CG 4.44Å; N268-Y294 WeakPolarHBondContact ND2-CE2 3.18Å; R290-Y294 WeakPolarHBondContact O-CD2 3.44Å; R290-Y294 PolarHBondContact O-N 3.17Å; L291-Y294 PolarHBondContact O-N 3.23Å; L292-Y294 VanDerWaalsContact C-N 3.34Å; L292-Y294 PolarHBondContact O-N 3.47Å; Y294-N296 VanDerWaalsContact C-N 3.3Å; Y294-N296 PolarHBondContact O-N 3.24Å; Y294-L297 HydrophobicContact CD1-CD1 4.28Å; Y294-L297 PolarHBondContact O-N 3.3Å; Y294-I298 WeakPolarHBondContact O-CG1 3.21Å; Y294-I298 PolarHBondContact O-N 2.72Å |
| 295 | R | 90.5 | Very high | 88.3 | Confident | 122 Ų | 122 | 67.6 Ų | 67.6 | 46% | 0.46 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 174.7 | -172.3 | 176.6 | -176.6 | 171.8 | 3.3 | 111.8 | L291 L292 I298 N299 | L291-R295 WeakPolarHBondContact O-CB 3.49Å; L291-R295 PolarHBondContact O-N 3.12Å; L292-R295 PolarHBondContact O-N 3.14Å; R295-I298 PolarHBondContact O-N 3.44Å; R295-N299 VanDerWaalsContact O-CG 3.28Å; R295-N299 PolarHBondContact O-N 3.09Å; R295-N299 PolarHBondContact O-ND2 3.02Å |
| 296 | N | 91.9 | Very high | 88.4 | Confident | 92 Ų | 92 | 68.2 Ų | 68.2 | 49% | 0.492 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.2 | -46.7 | 176.6 | -67.3 | -14.3 | 0 | 0 | 0 | 111.4 | L292 T293 Y294 I298 N299 E300 | L292-N296 VanDerWaalsContact O-CG 3.29Å; L292-N296 PolarHBondContact O-N 2.99Å; T293-N296 PolarHBondContact O-N 3.29Å; Y294-N296 VanDerWaalsContact C-N 3.3Å; Y294-N296 PolarHBondContact O-N 3.24Å; N296-I298 VanDerWaalsContact C-N 3.28Å; N296-I298 PolarHBondContact O-N 2.74Å; N296-N299 WeakPolarHBondContact O-CB 3.5Å; N296-N299 PolarHBondContact O-N 3Å; N296-N299 VanDerWaalsContact O-N 3.09Å; N296-E300 PolarHBondContact O-N 3.47Å |
| 297 | L | 91.7 | Very high | 88.1 | Confident | 70 Ų | 70 | 72.6 Ų | 72.6 | 37% | 0.366 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.5 | -34.9 | 176.2 | -66.6 | 170.9 | 0 | 0 | 0 | 112.2 | L261 T293 Y294 N299 E300 L301 | L261-L297 HydrophobicContact CD1-CB 3.67Å; L261-L297 HydrophobicContact CD1-CD1 4.11Å; T293-L297 WeakPolarHBondContact O-CG 3.4Å; T293-L297 PolarHBondContact O-N 3.29Å; Y294-L297 HydrophobicContact CD1-CD1 4.28Å; Y294-L297 PolarHBondContact O-N 3.3Å; L297-N299 VanDerWaalsContact C-N 3.34Å; L297-E300 PolarHBondContact O-N 3.03Å; L297-L301 WeakPolarHBondContact O-CB 3.24Å; L297-L301 VanDerWaalsContact O-CG 3.31Å; L297-L301 WeakPolarHBondContact O-CG 3.33Å; L297-L301 PolarHBondContact O-N 3.23Å |
| 298 | I | 90.4 | Very high | 87.5 | Confident | 16 Ų | 16 | 73.8 Ų | 73.8 | 8% | 0.082 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 173.8 | -68.1 | 168.6 | 0 | 0 | 0 | 110.8 | L261 Y262 Y265 Y294 R295 N296 L301 S302 | L261-I298 HydrophobicContact CD2-CD1 4.03Å; L261-I298 HydrophobicContact CD2-CG1 3.42Å; L261-I298 VanDerWaalsContact CD2-CG1 3.42Å; Y262-I298 HydrophobicContact CD1-CD1 4.35Å; Y262-I298 HydrophobicContact CD1-CG1 4.32Å; Y262-I298 HydrophobicContact CE1-CD1 4.26Å; Y262-I298 HydrophobicContact CE1-CG1 3.98Å; Y262-I298 HydrophobicContact CE1-CG2 4.38Å; Y265-I298 HydrophobicContact CD1-CD1 3.92Å; Y265-I298 HydrophobicContact CD2-CD1 4.39Å; Y265-I298 HydrophobicContact CE1-CD1 4.16Å; Y265-I298 HydrophobicContact CG-CD1 4.03Å; Y294-I298 WeakPolarHBondContact O-CG1 3.21Å; Y294-I298 PolarHBondContact O-N 2.72Å; R295-I298 PolarHBondContact O-N 3.44Å; N296-I298 VanDerWaalsContact C-N 3.28Å; N296-I298 PolarHBondContact O-N 2.74Å; I298-L301 PolarHBondContact O-N 3.13Å; I298-S302 WeakPolarHBondContact O-CB 3.45Å; I298-S302 PolarHBondContact O-N 2.98Å |
| 299 | N | 89.6 | Confident | 86.8 | Confident | 91 Ų | 91 | 73.2 Ų | 73.2 | 49% | 0.487 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.5 | -40.4 | 177.7 | -66.8 | -22.3 | 0 | 0 | 0 | 111.3 | R295 N296 L297 S302 | R295-N299 VanDerWaalsContact O-CG 3.28Å; R295-N299 PolarHBondContact O-N 3.09Å; R295-N299 PolarHBondContact O-ND2 3.02Å; N296-N299 WeakPolarHBondContact O-CB 3.5Å; N296-N299 PolarHBondContact O-N 3Å; N296-N299 VanDerWaalsContact O-N 3.09Å; L297-N299 VanDerWaalsContact C-N 3.34Å; N299-S302 WeakPolarHBondContact O-CB 3.43Å; N299-S302 PolarHBondContact O-N 3.42Å; N299-S302 PolarHBondContact O-OG 2.63Å |
| 300 | E | 88.6 | Confident | 86.2 | Confident | 131 Ų | 131 | 69.9 Ų | 69.9 | 61% | 0.612 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.8 | -43.2 | 174.3 | -69.4 | 174.3 | -172.8 | 0 | 0 | 111.3 | N296 L297 S302 A303 | N296-E300 PolarHBondContact O-N 3.47Å; L297-E300 PolarHBondContact O-N 3.03Å; E300-S302 VanDerWaalsContact C-N 3.3Å; E300-S302 PolarHBondContact O-N 3.46Å; E300-A303 PolarHBondContact O-N 2.92Å |
| 301 | L | 85.3 | Confident | 85.4 | Confident | 32 Ų | 32 | 68 Ų | 68 | 17% | 0.168 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.5 | -30.9 | 174.6 | -72.5 | 179.4 | 0 | 0 | 0 | 112.9 | Y254 L261 L297 I298 A303 V304 D305 | Y254-L301 HydrophobicContact CE2-CD2 3.64Å; L261-L301 HydrophobicContact CD1-CD1 3.79Å; L297-L301 WeakPolarHBondContact O-CB 3.24Å; L297-L301 VanDerWaalsContact O-CG 3.31Å; L297-L301 WeakPolarHBondContact O-CG 3.33Å; L297-L301 PolarHBondContact O-N 3.23Å; I298-L301 PolarHBondContact O-N 3.13Å; L301-A303 PolarHBondContact O-N 2.88Å; L301-V304 WeakPolarHBondContact O-CB 3.43Å; L301-V304 PolarHBondContact O-N 3.04Å; L301-D305 WeakPolarHBondContact O-CB 3.45Å; L301-D305 PolarHBondContact O-N 3.44Å |
| 302 | S | 84.1 | Confident | 84.5 | Confident | 65 Ų | 65 | 68.4 Ų | 68.4 | 46% | 0.455 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.5 | -31.8 | -178.5 | 78.8 | 0 | 0 | 0 | 0 | 112.9 | I298 N299 E300 D305 A306 | I298-S302 WeakPolarHBondContact O-CB 3.45Å; I298-S302 PolarHBondContact O-N 2.98Å; N299-S302 WeakPolarHBondContact O-CB 3.43Å; N299-S302 PolarHBondContact O-N 3.42Å; N299-S302 PolarHBondContact O-OG 2.63Å; E300-S302 VanDerWaalsContact C-N 3.3Å; E300-S302 PolarHBondContact O-N 3.46Å; S302-D305 PolarHBondContact O-N 3.35Å; S302-A306 PolarHBondContact O-N 3.45Å |
| 303 | A | 85.6 | Confident | 83.6 | Confident | 56 Ų | 56 | 72.9 Ų | 72.9 | 46% | 0.463 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | E300 L301 A306 H307 | E300-A303 PolarHBondContact O-N 2.92Å; L301-A303 PolarHBondContact O-N 2.88Å; A303-A306 PolarHBondContact O-N 3.31Å; A303-H307 PolarHBondContact O-CD2 3.43Å |
| 304 | V | 83.3 | Confident | 83 | Confident | 63 Ų | 63 | 76.2 Ų | 76.2 | 38% | 0.382 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.9 | -43.9 | 176.5 | -178.1 | 0 | 0 | 0 | 0 | 110.3 | Y254 L301 A306 H307 L308 | Y254-V304 HydrophobicContact CE2-CG1 3.95Å; L301-V304 WeakPolarHBondContact O-CB 3.43Å; L301-V304 PolarHBondContact O-N 3.04Å; V304-A306 VanDerWaalsContact C-N 3.27Å; V304-A306 PolarHBondContact O-N 3.37Å; V304-H307 WeakPolarHBondContact O-CB 3.02Å; V304-H307 PolarHBondContact O-N 2.72Å; V304-L308 HydrophobicContact CG1-CD1 3.93Å; V304-L308 HydrophobicContact CG1-CG 4.3Å; V304-L308 WeakPolarHBondContact O-CG 3.29Å; V304-L308 PolarHBondContact O-N 2.79Å; V304-L308 VanDerWaalsContact O-N 3.09Å |
| 305 | D | 82.4 | Confident | 81.7 | Confident | 23 Ų | 23 | 77 Ų | 77 | 12% | 0.123 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.7 | -36.2 | 177.3 | -76.6 | -24.2 | 0 | 0 | 0 | 112.3 | Y254 K258 L301 S302 H307 L308 A309 | Y254-D305 PolarHBondContact OH-OD1 3.13Å; K258-D305 VanDerWaalsContact CE-OD2 3.29Å; K258-D305 WeakPolarHBondContact CE-OD2 3.33Å; K258-D305 IonicContact NZ-OD1 2.76Å; K258-D305 PolarHBondContact NZ-OD1 3.28Å; K258-D305 IonicContact NZ-OD2 2.85Å; K258-D305 PolarHBondContact NZ-OD2 2.97Å; L301-D305 WeakPolarHBondContact O-CB 3.45Å; L301-D305 PolarHBondContact O-N 3.44Å; S302-D305 PolarHBondContact O-N 3.35Å; D305-H307 VanDerWaalsContact C-N 3.27Å; D305-H307 PolarHBondContact O-N 3.44Å; D305-L308 PolarHBondContact O-N 3.47Å; D305-A309 VanDerWaalsContact O-CB 3.24Å; D305-A309 WeakPolarHBondContact O-CB 3.45Å; D305-A309 PolarHBondContact O-N 3.04Å |
| 306 | A | 85.3 | Confident | 80.7 | Confident | 69 Ų | 69 | 73.9 Ų | 73.9 | 57% | 0.57 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.4 | -35.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S302 A303 V304 | S302-A306 PolarHBondContact O-N 3.45Å; A303-A306 PolarHBondContact O-N 3.31Å; V304-A306 VanDerWaalsContact C-N 3.27Å; V304-A306 PolarHBondContact O-N 3.37Å |
| 307 | H | 82.6 | Confident | 79.8 | Confident | 148 Ų | 148 | 72.6 Ų | 72.6 | 69% | 0.685 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -72.6 | -34.3 | 174.9 | -70.8 | -66.7 | 0 | 0 | 0 | 112.7 | A303 V304 D305 P310 | A303-H307 PolarHBondContact O-CD2 3.43Å; V304-H307 WeakPolarHBondContact O-CB 3.02Å; V304-H307 PolarHBondContact O-N 2.72Å; D305-H307 VanDerWaalsContact C-N 3.27Å; D305-H307 PolarHBondContact O-N 3.44Å; H307-P310 WeakPolarHBondContact O-CD 3.42Å; H307-P310 WeakPolarHBondContact O-CG 3.28Å |
| 308 | L | 75.3 | Confident | 78.3 | Confident | 29 Ų | 29 | 74.8 Ų | 74.8 | 15% | 0.152 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -89.6 | -21.6 | -176.8 | -59.3 | -175.3 | 0 | 0 | 0 | 113.8 | W251 Y254 V304 D305 P310 E311 F312 | W251-L308 HydrophobicContact CH2-CB 3.85Å; W251-L308 HydrophobicContact CH2-CD1 3.88Å; W251-L308 HydrophobicContact CH2-CD2 3.38Å; W251-L308 HydrophobicContact CH2-CG 3.86Å; W251-L308 HydrophobicContact CZ2-CD1 4.19Å; W251-L308 HydrophobicContact CZ2-CD2 3.23Å; W251-L308 HydrophobicContact CZ2-CG 4.16Å; W251-L308 HydrophobicContact CZ3-CB 4.42Å; W251-L308 HydrophobicContact CZ3-CD1 4.13Å; W251-L308 HydrophobicContact CZ3-CD2 4.4Å; Y254-L308 HydrophobicContact CD1-CD1 4.04Å; Y254-L308 HydrophobicContact CE1-CD1 3.72Å; V304-L308 HydrophobicContact CG1-CD1 3.93Å; V304-L308 HydrophobicContact CG1-CG 4.3Å; V304-L308 WeakPolarHBondContact O-CG 3.29Å; V304-L308 PolarHBondContact O-N 2.79Å; V304-L308 VanDerWaalsContact O-N 3.09Å; D305-L308 PolarHBondContact O-N 3.47Å; L308-P310 VanDerWaalsContact C-CD 3.42Å; L308-E311 WeakPolarHBondContact O-CA 3.48Å; L308-E311 WeakPolarHBondContact O-CB 3.36Å; L308-E311 PolarHBondContact O-N 2.92Å; L308-F312 VanDerWaalsContact C-CD2 3.44Å; L308-F312 HydrophobicContact CB-CD2 3.87Å; L308-F312 HydrophobicContact CB-CE2 3.36Å; L308-F312 HydrophobicContact CB-CZ 4.03Å; L308-F312 HydrophobicContact CD1-CE2 4.29Å; L308-F312 HydrophobicContact CD1-CZ 4.29Å; L308-F312 HydrophobicContact CG-CE2 4.48Å; L308-F312 VanDerWaalsContact O-CD2 3.24Å; L308-F312 WeakPolarHBondContact O-CD2 3.32Å; L308-F312 PolarHBondContact O-N 3.48Å |
| 309 | A | 73.2 | Confident | 76.9 | Confident | 31 Ų | 31 | 75.3 Ų | 75.3 | 26% | 0.256 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -48 | -43.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | D305 E311 F312 R313 | D305-A309 VanDerWaalsContact O-CB 3.24Å; D305-A309 WeakPolarHBondContact O-CB 3.45Å; D305-A309 PolarHBondContact O-N 3.04Å; A309-E311 VanDerWaalsContact C-N 3.28Å; A309-E311 PolarHBondContact O-N 3.41Å; A309-F312 PolarHBondContact O-N 2.95Å; A309-R313 WeakPolarHBondContact O-CB 3.02Å; A309-R313 VanDerWaalsContact O-CG 3.29Å; A309-R313 WeakPolarHBondContact O-CG 3.4Å; A309-R313 PolarHBondContact O-N 2.88Å |
| 310 | P | 76.3 | Confident | 75.6 | Confident | 66 Ų | 66 | 77.3 Ų | 77.3 | 43% | 0.429 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.5 | -28.3 | 176.9 | 26.4 | -35.6 | 0 | 0 | 0 | 113 | H307 L308 K314 | H307-P310 WeakPolarHBondContact O-CD 3.42Å; H307-P310 WeakPolarHBondContact O-CG 3.28Å; L308-P310 VanDerWaalsContact C-CD 3.42Å; P310-K314 WeakPolarHBondContact O-CD 3.49Å; P310-K314 VanDerWaalsContact O-CG 3.26Å; P310-K314 WeakPolarHBondContact O-CG 3.31Å; P310-K314 PolarHBondContact O-N 3.41Å |
| 311 | E | 75.1 | Confident | 74 | Confident | 95 Ų | 95 | 77.5 Ų | 77.5 | 44% | 0.444 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -77.8 | -41.2 | 176 | -59.8 | -170.2 | 163.8 | 0 | 0 | 110.7 | W251 L308 A309 R313 K314 L315 | W251-E311 HydrophobicContact CH2-CB 4.25Å; W251-E311 VanDerWaalsContact CH2-OE2 3.32Å; W251-E311 WeakPolarHBondContact CH2-OE2 3.34Å; W251-E311 WeakPolarHBondContact CZ2-OE2 3.45Å; L308-E311 WeakPolarHBondContact O-CA 3.48Å; L308-E311 WeakPolarHBondContact O-CB 3.36Å; L308-E311 PolarHBondContact O-N 2.92Å; A309-E311 VanDerWaalsContact C-N 3.28Å; A309-E311 PolarHBondContact O-N 3.41Å; E311-R313 VanDerWaalsContact C-N 3.34Å; E311-R313 PolarHBondContact O-N 2.9Å; E311-K314 PolarHBondContact O-N 3.27Å; E311-K314 VanDerWaalsContact O-N 3.16Å; E311-L315 PolarHBondContact O-N 3.18Å |
| 312 | F | 69.1 | Low | 72.4 | Confident | 22 Ų | 22 | 80 Ų | 80 | 10% | 0.096 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -58.1 | -44.2 | 171.8 | -68.9 | -51.5 | 0 | 0 | 0 | 112.3 | M237 W251 L308 A309 K314 L315 L316 | M237-F312 HydrophobicContact CE-CD1 3.73Å; M237-F312 HydrophobicContact CE-CE1 3.65Å; M237-F312 HydrophobicContact CE-CG 4.42Å; M237-F312 HydrophobicContact CE-CZ 4.32Å; M237-F312 HydrophobicContact SD-CD1 3.27Å; M237-F312 WeakPolarHBondContact SD-CD1 3.35Å; M237-F312 HydrophobicContact SD-CE1 3.35Å; M237-F312 WeakPolarHBondContact SD-CE1 3.18Å; M237-F312 HydrophobicContact SD-CG 4.35Å; M237-F312 HydrophobicContact SD-CZ 4.49Å; W251-F312 HydrophobicContact CE3-CE1 4.26Å; W251-F312 HydrophobicContact CE3-CZ 4.42Å; W251-F312 HydrophobicContact CH2-CE1 4.46Å; W251-F312 HydrophobicContact CH2-CZ 4.4Å; W251-F312 HydrophobicContact CZ3-CD1 4.21Å; W251-F312 AromaticContact CZ3-CE1 3.5Å; W251-F312 HydrophobicContact CZ3-CE1 3.5Å; W251-F312 HydrophobicContact CZ3-CE2 4.45Å; W251-F312 AromaticContact CZ3-CZ 3.63Å; W251-F312 HydrophobicContact CZ3-CZ 3.63Å; L308-F312 VanDerWaalsContact C-CD2 3.44Å; L308-F312 HydrophobicContact CB-CD2 3.87Å; L308-F312 HydrophobicContact CB-CE2 3.36Å; L308-F312 HydrophobicContact CB-CZ 4.03Å; L308-F312 HydrophobicContact CD1-CE2 4.29Å; L308-F312 HydrophobicContact CD1-CZ 4.29Å; L308-F312 HydrophobicContact CG-CE2 4.48Å; L308-F312 VanDerWaalsContact O-CD2 3.24Å; L308-F312 WeakPolarHBondContact O-CD2 3.32Å; L308-F312 PolarHBondContact O-N 3.48Å; A309-F312 PolarHBondContact O-N 2.95Å; F312-K314 VanDerWaalsContact C-N 3.31Å; F312-K314 PolarHBondContact O-N 2.98Å; F312-L315 PolarHBondContact O-N 3.22Å; F312-L316 WeakPolarHBondContact O-CD1 3.44Å; F312-L316 PolarHBondContact O-N 2.87Å |
| 313 | R | 71.8 | Confident | 70.8 | Confident | 189 Ų | 189 | 81.1 Ų | 81.1 | 71% | 0.713 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64.6 | -34.8 | 177.2 | -73.7 | 174.9 | -177.3 | 178 | 2.3 | 112.5 | A309 E311 V317 | A309-R313 WeakPolarHBondContact O-CB 3.02Å; A309-R313 VanDerWaalsContact O-CG 3.29Å; A309-R313 WeakPolarHBondContact O-CG 3.4Å; A309-R313 PolarHBondContact O-N 2.88Å; E311-R313 VanDerWaalsContact C-N 3.34Å; E311-R313 PolarHBondContact O-N 2.9Å; R313-V317 WeakPolarHBondContact O-CB 3.3Å; R313-V317 WeakPolarHBondContact O-CG2 3.24Å; R313-V317 PolarHBondContact O-N 3.27Å; R313-V317 VanDerWaalsContact O-N 3.15Å |
| 314 | K | 77.6 | Confident | 69 | Low | 141 Ų | 141 | 84.3 Ų | 84.3 | 61% | 0.613 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -68.7 | -44 | 176.1 | -73.8 | 169.3 | -173.4 | 175.9 | 0 | 111.3 | P310 E311 F312 V317 E318 | P310-K314 WeakPolarHBondContact O-CD 3.49Å; P310-K314 VanDerWaalsContact O-CG 3.26Å; P310-K314 WeakPolarHBondContact O-CG 3.31Å; P310-K314 PolarHBondContact O-N 3.41Å; E311-K314 PolarHBondContact O-N 3.27Å; E311-K314 VanDerWaalsContact O-N 3.16Å; F312-K314 VanDerWaalsContact C-N 3.31Å; F312-K314 PolarHBondContact O-N 2.98Å; K314-V317 PolarHBondContact O-N 3.36Å; K314-E318 WeakPolarHBondContact O-CG 3.33Å; K314-E318 PolarHBondContact O-N 3.03Å |
| 315 | L | 67 | Low | 67.1 | Low | 65 Ų | 65 | 84.9 Ų | 84.9 | 34% | 0.34 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.9 | -45.1 | 178.6 | -72 | 167.7 | 0 | 0 | 0 | 112 | E311 F312 V317 E318 D319 | E311-L315 PolarHBondContact O-N 3.18Å; F312-L315 PolarHBondContact O-N 3.22Å; L315-V317 VanDerWaalsContact C-N 3.32Å; L315-V317 PolarHBondContact O-N 3.25Å; L315-E318 PolarHBondContact O-N 2.95Å; L315-D319 PolarHBondContact O-N 2.83Å |
| 316 | L | 68.1 | Low | 65.3 | Low | 57 Ų | 57 | 87.6 Ų | 87.6 | 30% | 0.298 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 174.7 | -100.2 | 112.4 | 0 | 0 | 0 | 112.4 | F312 D319 E320 | F312-L316 WeakPolarHBondContact O-CD1 3.44Å; F312-L316 PolarHBondContact O-N 2.87Å; L316-D319 PolarHBondContact O-N 2.9Å; L316-E320 WeakPolarHBondContact O-CG 3.35Å; L316-E320 PolarHBondContact O-N 3.05Å |
| 317 | V | 72.5 | Confident | 63.2 | Low | 65 Ų | 65 | 91.5 Ų | 91.5 | 39% | 0.394 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -71.1 | -30.1 | 177.6 | 170.1 | 0 | 0 | 0 | 0 | 112.3 | R313 K314 L315 K321 | R313-V317 WeakPolarHBondContact O-CB 3.3Å; R313-V317 WeakPolarHBondContact O-CG2 3.24Å; R313-V317 PolarHBondContact O-N 3.27Å; R313-V317 VanDerWaalsContact O-N 3.15Å; K314-V317 PolarHBondContact O-N 3.36Å; L315-V317 VanDerWaalsContact C-N 3.32Å; L315-V317 PolarHBondContact O-N 3.25Å; V317-K321 WeakPolarHBondContact O-CD 3.42Å; V317-K321 VanDerWaalsContact O-CG 3.3Å; V317-K321 WeakPolarHBondContact O-CG 3.44Å; V317-K321 PolarHBondContact O-N 3.02Å |
| 318 | E | 61.8 | Low | 61.1 | Low | 116 Ų | 116 | 94 Ų | 94 | 54% | 0.542 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -70.3 | -41.7 | 172 | -79.4 | 179.2 | 171.4 | 0 | 0 | 111.5 | K314 L315 K321 D322 | K314-E318 WeakPolarHBondContact O-CG 3.33Å; K314-E318 PolarHBondContact O-N 3.03Å; L315-E318 PolarHBondContact O-N 2.95Å; E318-K321 PolarHBondContact O-N 2.88Å; E318-D322 PolarHBondContact O-N 3.38Å |
| 319 | D | 59.2 | Low | 59.1 | Low | 28 Ų | 28 | 101.7 Ų | 101.7 | 15% | 0.15 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -69.4 | -34.9 | 175.4 | -78.2 | -59.2 | 0 | 0 | 0 | 112.9 | M240 K245 L315 L316 K321 D322 D323 | M240-D319 HydrophobicContact CE-CB 3.95Å; M240-D319 WeakPolarHBondContact CE-OD2 3.34Å; K245-D319 IonicContact NZ-OD1 3.84Å; K245-D319 PolarHBondContact NZ-OD1 3.29Å; L315-D319 PolarHBondContact O-N 2.83Å; L316-D319 PolarHBondContact O-N 2.9Å; D319-K321 VanDerWaalsContact C-N 3.26Å; D319-K321 PolarHBondContact O-N 2.83Å; D319-D322 PolarHBondContact O-N 3.07Å; D319-D323 WeakPolarHBondContact O-CB 3.46Å; D319-D323 PolarHBondContact O-N 3.31Å |
| 320 | E | 62.7 | Low | 57 | Low | 132 Ų | 132 | 106.4 Ų | 106.4 | 62% | 0.617 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.4 | -33.9 | 172 | -78.1 | -171.7 | 158.6 | 0 | 0 | 112.2 | L316 E324 | L316-E320 WeakPolarHBondContact O-CG 3.35Å; L316-E320 PolarHBondContact O-N 3.05Å; E320-E324 WeakPolarHBondContact O-CB 3.25Å; E320-E324 PolarHBondContact O-N 3.07Å |
| 321 | K | 56 | Low | 54.7 | Low | 136 Ų | 136 | 112.8 Ų | 112.8 | 59% | 0.591 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -73.7 | -38.3 | 174.7 | -72 | 170.6 | -174.8 | 171.3 | 0 | 112.1 | V317 E318 D319 E324 S325 | V317-K321 WeakPolarHBondContact O-CD 3.42Å; V317-K321 VanDerWaalsContact O-CG 3.3Å; V317-K321 WeakPolarHBondContact O-CG 3.44Å; V317-K321 PolarHBondContact O-N 3.02Å; E318-K321 PolarHBondContact O-N 2.88Å; D319-K321 VanDerWaalsContact C-N 3.26Å; D319-K321 PolarHBondContact O-N 2.83Å; K321-E324 PolarHBondContact O-N 3.44Å; K321-S325 PolarHBondContact O-N 3.33Å; K321-S325 VanDerWaalsContact O-N 3.08Å |
| 322 | D | 51 | Low | 52.5 | Low | 85 Ų | 85 | 111.6 Ų | 111.6 | 46% | 0.455 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.1 | -36.7 | 174.3 | -79.2 | -10.9 | 0 | 0 | 0 | 111.5 | K245 E318 D319 S325 S326 | K245-D322 IonicContact NZ-OD2 2.74Å; E318-D322 PolarHBondContact O-N 3.38Å; D319-D322 PolarHBondContact O-N 3.07Å; D322-S325 PolarHBondContact O-N 3.43Å; D322-S325 PolarHBondContact O-OG 2.83Å; D322-S326 PolarHBondContact O-N 2.99Å; D322-S326 VanDerWaalsContact O-N 3.1Å; D322-S326 PolarHBondContact O-OG 3.2Å |
| 323 | D | 51.4 | Low | 50.5 | Low | 88 Ų | 88 | 121 Ų | 121 | 47% | 0.471 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -71.6 | -35.9 | 174.2 | -96.9 | -9 | 0 | 0 | 0 | 112.8 | D319 S325 S326 K327 | D319-D323 WeakPolarHBondContact O-CB 3.46Å; D319-D323 PolarHBondContact O-N 3.31Å; D323-S325 VanDerWaalsContact C-N 3.3Å; D323-S325 PolarHBondContact O-N 2.91Å; D323-S326 PolarHBondContact O-N 3.4Å; D323-K327 WeakPolarHBondContact O-CB 3.36Å; D323-K327 WeakPolarHBondContact O-CG 3.48Å; D323-K327 PolarHBondContact O-N 2.9Å |
| 324 | E | 47.6 | Very low | 48.4 | Very low | 123 Ų | 123 | 121.3 Ų | 121.3 | 58% | 0.575 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.3 | -35.1 | 170.7 | -89.8 | -152.1 | 164.8 | 0 | 0 | 112.2 | E320 K321 S326 R328 | E320-E324 WeakPolarHBondContact O-CB 3.25Å; E320-E324 PolarHBondContact O-N 3.07Å; K321-E324 PolarHBondContact O-N 3.44Å; E324-S326 VanDerWaalsContact C-N 3.28Å; E324-S326 PolarHBondContact O-N 2.96Å; E324-R328 WeakPolarHBondContact O-CG 3.32Å |
| 325 | S | 44.1 | Very low | 46 | Very low | 75 Ų | 75 | 121.4 Ų | 121.4 | 52% | 0.524 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69.9 | -29 | 175.4 | 84.2 | 0 | 0 | 0 | 0 | 112.2 | K321 D322 D323 | K321-S325 PolarHBondContact O-N 3.33Å; K321-S325 VanDerWaalsContact O-N 3.08Å; D322-S325 PolarHBondContact O-N 3.43Å; D322-S325 PolarHBondContact O-OG 2.83Å; D323-S325 VanDerWaalsContact C-N 3.3Å; D323-S325 PolarHBondContact O-N 2.91Å |
| 326 | S | 43.8 | Very low | 44.1 | Very low | 80 Ų | 80 | 128.1 Ų | 128.1 | 56% | 0.559 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -82.6 | -30 | 178.7 | -55.6 | 0 | 0 | 0 | 0 | 112.9 | D322 D323 E324 R328 | D322-S326 PolarHBondContact O-N 2.99Å; D322-S326 VanDerWaalsContact O-N 3.1Å; D322-S326 PolarHBondContact O-OG 3.2Å; D323-S326 PolarHBondContact O-N 3.4Å; E324-S326 VanDerWaalsContact C-N 3.28Å; E324-S326 PolarHBondContact O-N 2.96Å; S326-R328 PolarHBondContact O-N 3.01Å |
| 327 | K | 41.1 | Very low | 42.3 | Very low | 151 Ų | 151 | 131.5 Ų | 131.5 | 66% | 0.657 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -79.9 | -7.3 | 177.8 | -77.1 | 170.7 | -177.4 | 160.1 | 0 | 114.7 | D323 K329 | D323-K327 WeakPolarHBondContact O-CB 3.36Å; D323-K327 WeakPolarHBondContact O-CG 3.48Å; D323-K327 PolarHBondContact O-N 2.9Å; K327-K329 PolarHBondContact O-N 3.43Å |
| 328 | R | 38.1 | Very low | 40.5 | Very low | 201 Ų | 201 | 134.2 Ų | 134.2 | 76% | 0.758 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 6.2 | 177.3 | -76.4 | 178.9 | -171.7 | -175.7 | 5.8 | 115.2 | E324 S326 | E324-R328 WeakPolarHBondContact O-CG 3.32Å; S326-R328 PolarHBondContact O-N 3.01Å |
| 329 | K | 33 | Very low | 39 | Very low | 189 Ų | 189 | 137.9 Ų | 137.9 | 82% | 0.822 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | 40.2 | 179.1 | -70.7 | -169.7 | 180 | 177.2 | 0 | 114.9 | K327 | K327-K329 PolarHBondContact O-N 3.43Š|
| 330 | T | 29 | Very low | 37.6 | Very low | 130 Ų | 130 | 146.1 Ų | 146.1 | 80% | 0.798 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -153.3 | 119 | 157.6 | 45.8 | 0 | 0 | 0 | 0 | 110.5 | ||
| 331 | E | 29.5 | Very low | 36 | Very low | 201 Ų | 201 | 149 Ų | 149 | 94% | 0.939 | 74% | 0.744 | S | S | * | * | trans | -69.3 | 143.3 | -171.3 | -63 | -169.7 | 148.3 | 0 | 0 | 115.6 | ||||
| 332 | G | 27.8 | Very low | 34.6 | Very low | 70 Ų | 70 | 149.6 Ų | 149.6 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | 87.1 | 100.2 | 111.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 333 | K | 28.3 | Very low | 33.4 | Very low | 218 Ų | 218 | 150.8 Ų | 150.8 | 95% | 0.948 | 77% | 0.769 | S | S | * | * | -170.1 | 141.9 | 123.1 | -116.3 | 171.2 | 178.4 | 173 | 0 | 113.2 | |||||
| 334 | K | 28 | Very low | 32.2 | Very low | 197 Ų | 197 | 150.4 Ų | 150.4 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | trans | -71.7 | 151.5 | -172.7 | -56.6 | 173.1 | 175.7 | 177.5 | 0 | 113.2 | ||||
| 335 | T | 25.8 | Very low | 31.3 | Very low | 142 Ų | 142 | 153.3 Ų | 153.3 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | -171.1 | 121.3 | 121.9 | 28 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 336 | K | 28 | Very low | 30.8 | Very low | 207 Ų | 207 | 155.7 Ų | 155.7 | 90% | 0.9 | 81% | 0.811 | S | S | * | * | trans | 13.1 | 135 | 149.7 | -60.4 | -179.4 | 177.7 | -179.6 | 0 | 124.4 | ||||
| 337 | V | 29.3 | Very low | 30.4 | Very low | 128 Ų | 128 | 157.8 Ų | 157.8 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | trans | -53.3 | 158.8 | 162.3 | 178.7 | 0 | 0 | 0 | 0 | 112.9 | K339 | V337-K339 HydrophobicContact CG1-CB 4.44Š| ||
| 338 | P | 35.9 | Very low | 30.3 | Very low | 122 Ų | 122 | 156.4 Ų | 156.4 | 79% | 0.792 | 83% | 0.829 | S | S | * | * | -144.3 | 145.6 | 53.7 | 34.2 | -9.6 | 0 | 0 | 0 | 118.8 | |||||
| 339 | K | 30.6 | Very low | 30 | Very low | 192 Ų | 192 | 154.9 Ų | 154.9 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | 73.3 | 110.9 | 75.9 | -145 | -176.8 | -163 | 178.3 | 0 | 114.6 | V337 | V337-K339 HydrophobicContact CG1-CB 4.44Š| |||
| 340 | Q | 28.2 | Very low | 29.9 | Very low | 202 Ų | 202 | 152.1 Ų | 152.1 | 94% | 0.944 | 83% | 0.825 | S | S | * | * | trans | -146.2 | 139.5 | 155.8 | -107.4 | 179.6 | -22.6 | 0 | 0 | 111.2 | ||||
| 341 | K | 29.7 | Very low | 29.9 | Very low | 191 Ų | 191 | 151.8 Ų | 151.8 | 83% | 0.83 | 83% | 0.828 | S | S | * | * | trans | -101.5 | 147.3 | 176 | -83.9 | 178.1 | 164.9 | -174.4 | 0 | 108.6 | ||||
| 342 | D | 26.1 | Very low | 30.2 | Very low | 150 Ų | 150 | 149.6 Ų | 149.6 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | trans | -173.3 | 119.9 | 139.5 | -104.6 | -30.4 | 0 | 0 | 0 | 107.2 | ||||
| 343 | S | 26.3 | Very low | 31 | Very low | 109 Ų | 109 | 151.3 Ų | 151.3 | 76% | 0.762 | 82% | 0.824 | S | S | * | * | 77.4 | 128.7 | 74.8 | 79.3 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 344 | G | 26.7 | Very low | 31.6 | Very low | 81 Ų | 81 | 148.9 Ų | 148.9 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | 149.5 | 112.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 345 | E | 28.9 | Very low | 32.6 | Very low | 183 Ų | 183 | 142.7 Ų | 142.7 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | -81.9 | 152.7 | -174.1 | -71.7 | 167.3 | 133.4 | 0 | 0 | 115.2 | ||||
| 346 | T | 33.9 | Very low | 33.9 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | 48.2 | 146.7 | 149.3 | 61.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 347 | P | 33.9 | Very low | 34.9 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | -135.8 | 146.9 | 119 | 35.5 | -24.6 | 0 | 0 | 0 | 113.2 | |||||
| 348 | P | 38.6 | Very low | 36.5 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -95 | 151.7 | 162.6 | 34.8 | -28.1 | 0 | 0 | 0 | 112.6 | ||||
| 349 | E | 32.8 | Very low | 37.8 | Very low | 168 Ų | 168 | 139.1 Ų | 139.1 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -60.8 | 147 | 176.1 | -86 | 174.5 | 119.4 | 0 | 0 | 116.1 | ||||
| 350 | N | 30.8 | Very low | 39.8 | Very low | 132 Ų | 132 | 135.8 Ų | 135.8 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | 61.4 | 123 | 135.6 | -57.9 | -24.4 | 0 | 0 | 0 | 121.9 | ||||
| 351 | S | 29.4 | Very low | 42 | Very low | 123 Ų | 123 | 128.9 Ų | 128.9 | 86% | 0.86 | 74% | 0.738 | S | S | * | * | trans | -159 | 94.8 | 144.9 | 174.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 352 | D | 36.2 | Very low | 44.3 | Very low | 154 Ų | 154 | 121.8 Ų | 121.8 | 82% | 0.824 | 72% | 0.715 | S | S | * | * | trans | -84.6 | 140.3 | 162.8 | -74.8 | -44.5 | 0 | 0 | 0 | 110.2 | ||||
| 353 | S | 43.6 | Very low | 47 | Very low | 107 Ų | 107 | 119.4 Ų | 119.4 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | trans | 157.8 | 92.6 | 143.1 | -178.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 354 | D | 42 | Very low | 49.8 | Very low | 166 Ų | 166 | 122.9 Ų | 122.9 | 89% | 0.888 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 174 | 11.2 | 145 | -92.7 | -17.6 | 0 | 0 | 0 | 115.8 | ||
| 355 | S | 48.3 | Very low | 52.7 | Low | 67 Ų | 67 | 125.1 Ų | 125.1 | 47% | 0.469 | 69% | 0.685 | S | S | . | * | trans | -104.5 | -3.6 | -174.4 | 63.3 | 0 | 0 | 0 | 0 | 117.9 | L357 D358 | S355-L357 VanDerWaalsContact C-N 3.28Å; S355-L357 PolarHBondContact O-N 3.21Å; S355-L357 VanDerWaalsContact O-N 3.15Å; S355-D358 PolarHBondContact O-N 3.43Å | ||
| 356 | D | 52.1 | Low | 55.4 | Low | 124 Ų | 124 | 123.9 Ų | 123.9 | 66% | 0.663 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -68.4 | -18.7 | -167.9 | -69.4 | -9 | 0 | 0 | 0 | 115.2 | ||
| 357 | L | 49.4 | Very low | 58 | Low | 154 Ų | 154 | 124 Ų | 124 | 81% | 0.806 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -81.6 | -29.4 | -177.9 | -67.9 | 173.8 | 0 | 0 | 0 | 113.7 | S355 | S355-L357 VanDerWaalsContact C-N 3.28Å; S355-L357 PolarHBondContact O-N 3.21Å; S355-L357 VanDerWaalsContact O-N 3.15Å |
| 358 | D | 63 | Low | 60.5 | Low | 138 Ų | 138 | 122.5 Ų | 122.5 | 74% | 0.738 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -82.1 | -25.7 | 176.6 | -91.7 | -16.5 | 0 | 0 | 0 | 111.9 | S355 A362 | S355-D358 PolarHBondContact O-N 3.43Å; D358-A362 WeakPolarHBondContact O-CB 3.35Å; D358-A362 PolarHBondContact O-N 2.94Å |
| 359 | E | 63.4 | Low | 62.8 | Low | 109 Ų | 109 | 119.6 Ų | 119.6 | 51% | 0.509 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -70.4 | -40.2 | 177.8 | -71.3 | -174.2 | -169.8 | 0 | 0 | 112.3 | A361 A362 L363 | E359-A361 VanDerWaalsContact C-N 3.34Å; E359-A361 PolarHBondContact O-N 3.06Å; E359-A362 PolarHBondContact O-N 3.08Å; E359-L363 WeakPolarHBondContact O-CB 3.3Å; E359-L363 WeakPolarHBondContact O-CG 3.27Å; E359-L363 PolarHBondContact O-N 2.84Å |
| 360 | E | 73 | Confident | 65.3 | Low | 122 Ų | 122 | 116.5 Ų | 116.5 | 57% | 0.57 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66 | -37.1 | 175.7 | -72 | -165.9 | 167.5 | 0 | 0 | 112.5 | L363 R364 | E360-L363 PolarHBondContact O-N 2.9Å; E360-R364 WeakPolarHBondContact O-CG 3.41Å; E360-R364 PolarHBondContact O-N 2.92Å |
| 361 | A | 74.7 | Confident | 67.8 | Low | 57 Ų | 57 | 116 Ų | 116 | 47% | 0.471 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.4 | -42.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E359 R364 F365 | E359-A361 VanDerWaalsContact C-N 3.34Å; E359-A361 PolarHBondContact O-N 3.06Å; A361-R364 PolarHBondContact O-N 2.73Å; A361-F365 PolarHBondContact O-N 2.96Å |
| 362 | A | 78.2 | Confident | 70.1 | Confident | 42 Ų | 42 | 117.4 Ų | 117.4 | 35% | 0.347 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.1 | -43.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D358 E359 R364 F365 Y366 | D358-A362 WeakPolarHBondContact O-CB 3.35Å; D358-A362 PolarHBondContact O-N 2.94Å; E359-A362 PolarHBondContact O-N 3.08Å; A362-R364 VanDerWaalsContact C-N 3.33Å; A362-R364 PolarHBondContact O-N 2.92Å; A362-F365 PolarHBondContact O-N 2.98Å; A362-Y366 HydrophobicContact CB-CE2 4.37Å; A362-Y366 WeakPolarHBondContact O-CD2 3.44Å; A362-Y366 PolarHBondContact O-N 3.27Å |
| 363 | L | 82.5 | Confident | 72.1 | Confident | 99 Ų | 99 | 113 Ų | 113 | 52% | 0.518 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.6 | -35.9 | 177.6 | -73.8 | 170.5 | 0 | 0 | 0 | 112.7 | E359 E360 K367 | E359-L363 WeakPolarHBondContact O-CB 3.3Å; E359-L363 WeakPolarHBondContact O-CG 3.27Å; E359-L363 PolarHBondContact O-N 2.84Å; E360-L363 PolarHBondContact O-N 2.9Å; L363-K367 WeakPolarHBondContact O-CB 2.75Å; L363-K367 VanDerWaalsContact O-CG 3.25Å; L363-K367 WeakPolarHBondContact O-CG 3.15Å; L363-K367 PolarHBondContact O-N 3.02Å; L363-K367 VanDerWaalsContact O-N 3.08Å |
| 364 | R | 84.1 | Confident | 73.7 | Confident | 182 Ų | 182 | 113.3 Ų | 113.3 | 69% | 0.687 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.3 | -41.9 | 173.8 | -72.5 | -171.8 | -166.1 | -167.2 | 7.1 | 112 | E360 A361 A362 K367 E368 | E360-R364 WeakPolarHBondContact O-CG 3.41Å; E360-R364 PolarHBondContact O-N 2.92Å; A361-R364 PolarHBondContact O-N 2.73Å; A362-R364 VanDerWaalsContact C-N 3.33Å; A362-R364 PolarHBondContact O-N 2.92Å; R364-K367 PolarHBondContact O-N 3.14Å; R364-E368 WeakPolarHBondContact O-CB 3.48Å; R364-E368 PolarHBondContact O-N 3.22Å |
| 365 | F | 87.7 | Confident | 75 | Confident | 128 Ų | 128 | 111.1 Ų | 111.1 | 56% | 0.561 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61 | -45.5 | 175.7 | 178.1 | -99.5 | 0 | 0 | 0 | 112 | A361 A362 K367 E368 V369 | A361-F365 PolarHBondContact O-N 2.96Å; A362-F365 PolarHBondContact O-N 2.98Å; F365-K367 PolarHBondContact O-N 3.43Å; F365-E368 PolarHBondContact O-N 3.09Å; F365-V369 HydrophobicContact CD1-CG2 4.36Å; F365-V369 HydrophobicContact CE1-CG2 4.01Å; F365-V369 HydrophobicContact CE2-CG2 4.28Å; F365-V369 HydrophobicContact CZ-CG2 3.97Å; F365-V369 VanDerWaalsContact O-CG2 3.29Å; F365-V369 WeakPolarHBondContact O-CG2 3.36Å; F365-V369 PolarHBondContact O-N 3.12Å |
| 366 | Y | 85.7 | Confident | 76.1 | Confident | 158 Ų | 158 | 115.1 Ų | 115.1 | 62% | 0.62 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.3 | -38.4 | 177.3 | -73.8 | -63.5 | 0 | 0 | 0 | 112.8 | A362 V369 E370 | A362-Y366 HydrophobicContact CB-CE2 4.37Å; A362-Y366 WeakPolarHBondContact O-CD2 3.44Å; A362-Y366 PolarHBondContact O-N 3.27Å; Y366-V369 PolarHBondContact O-N 3.44Å; Y366-E370 WeakPolarHBondContact O-CB 3.45Å; Y366-E370 PolarHBondContact O-N 2.95Å |
| 367 | K | 88.9 | Confident | 76.9 | Confident | 128 Ų | 128 | 117.9 Ų | 117.9 | 56% | 0.557 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.2 | -43.8 | 173.7 | -76.1 | 172.7 | -177.7 | 177.4 | 0 | 112 | L363 R364 F365 V369 E370 E371 | L363-K367 WeakPolarHBondContact O-CB 2.75Å; L363-K367 VanDerWaalsContact O-CG 3.25Å; L363-K367 WeakPolarHBondContact O-CG 3.15Å; L363-K367 PolarHBondContact O-N 3.02Å; L363-K367 VanDerWaalsContact O-N 3.08Å; R364-K367 PolarHBondContact O-N 3.14Å; F365-K367 PolarHBondContact O-N 3.43Å; K367-V369 PolarHBondContact O-N 2.99Å; K367-E370 WeakPolarHBondContact O-CB 3.41Å; K367-E370 PolarHBondContact O-N 3.45Å; K367-E371 WeakPolarHBondContact O-CG 3.46Å; K367-E371 PolarHBondContact O-N 3.32Å |
| 368 | E | 85.5 | Confident | 77.6 | Confident | 93 Ų | 93 | 117.8 Ų | 117.8 | 44% | 0.435 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 178.7 | -168.4 | 178.3 | 163.3 | 0 | 0 | 112 | R364 F365 E371 R372 | R364-E368 WeakPolarHBondContact O-CB 3.48Å; R364-E368 PolarHBondContact O-N 3.22Å; F365-E368 PolarHBondContact O-N 3.09Å; E368-E371 PolarHBondContact O-N 3.41Å; E368-R372 WeakPolarHBondContact O-CG 3.48Å; E368-R372 PolarHBondContact O-N 3.21Å; E368-R372 IonicContact OE1-CZ 2.7Å; E368-R372 IonicContact OE1-NE 4Å; E368-R372 IonicContact OE1-NH2 2.69Å; E368-R372 PolarHBondContact OE1-NH2 3.49Å |
| 369 | V | 88.3 | Confident | 77.5 | Confident | 61 Ų | 61 | 114.9 Ų | 114.9 | 37% | 0.37 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 172.8 | 171.5 | 0 | 0 | 0 | 0 | 111 | F365 Y366 K367 R372 V373 | F365-V369 HydrophobicContact CD1-CG2 4.36Å; F365-V369 HydrophobicContact CE1-CG2 4.01Å; F365-V369 HydrophobicContact CE2-CG2 4.28Å; F365-V369 HydrophobicContact CZ-CG2 3.97Å; F365-V369 VanDerWaalsContact O-CG2 3.29Å; F365-V369 WeakPolarHBondContact O-CG2 3.36Å; F365-V369 PolarHBondContact O-N 3.12Å; Y366-V369 PolarHBondContact O-N 3.44Å; K367-V369 PolarHBondContact O-N 2.99Å; V369-R372 PolarHBondContact O-N 3.25Å; V369-V373 VanDerWaalsContact O-CG2 3.29Å; V369-V373 WeakPolarHBondContact O-CG2 3.3Å; V369-V373 PolarHBondContact O-N 3.12Å |
| 370 | E | 85.2 | Confident | 77.1 | Confident | 102 Ų | 102 | 118.3 Ų | 118.3 | 48% | 0.477 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.3 | -41.3 | 177.1 | -160.4 | -169.1 | 160.6 | 0 | 0 | 111.8 | Y366 K367 V373 K374 | Y366-E370 WeakPolarHBondContact O-CB 3.45Å; Y366-E370 PolarHBondContact O-N 2.95Å; K367-E370 WeakPolarHBondContact O-CB 3.41Å; K367-E370 PolarHBondContact O-N 3.45Å; E370-V373 PolarHBondContact O-N 3.13Å; E370-K374 VanDerWaalsContact CD-NZ 3.33Å; E370-K374 WeakPolarHBondContact O-CB 3.32Å; E370-K374 VanDerWaalsContact O-CG 3.3Å; E370-K374 WeakPolarHBondContact O-CG 3.42Å; E370-K374 PolarHBondContact O-N 3.38Å; E370-K374 WeakPolarHBondContact OE1-CE 3.25Å; E370-K374 IonicContact OE1-NZ 2.97Å; E370-K374 PolarHBondContact OE1-NZ 3.49Å; E370-K374 IonicContact OE2-NZ 2.83Å |
| 371 | E | 83.1 | Confident | 75.8 | Confident | 122 Ų | 122 | 116 Ų | 116 | 57% | 0.57 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.9 | -43.6 | 175.3 | -74.2 | 177.2 | -178.4 | 0 | 0 | 112.1 | K367 E368 V373 K374 L375 | K367-E371 WeakPolarHBondContact O-CG 3.46Å; K367-E371 PolarHBondContact O-N 3.32Å; E368-E371 PolarHBondContact O-N 3.41Å; E371-V373 VanDerWaalsContact C-N 3.31Å; E371-V373 PolarHBondContact O-N 3.19Å; E371-K374 PolarHBondContact O-N 2.7Å; E371-L375 WeakPolarHBondContact O-CG 3.03Å; E371-L375 PolarHBondContact O-N 3.39Å |
| 372 | R | 77.3 | Confident | 74.6 | Confident | 153 Ų | 153 | 117.2 Ų | 117.2 | 58% | 0.577 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.5 | -38.6 | 174.5 | -73.2 | 178.9 | -171.1 | -165.5 | 5 | 112.2 | E368 V369 K376 | E368-R372 WeakPolarHBondContact O-CG 3.48Å; E368-R372 PolarHBondContact O-N 3.21Å; E368-R372 IonicContact OE1-CZ 2.7Å; E368-R372 IonicContact OE1-NE 4Å; E368-R372 IonicContact OE1-NH2 2.69Å; E368-R372 PolarHBondContact OE1-NH2 3.49Å; V369-R372 PolarHBondContact O-N 3.25Å; R372-K376 WeakPolarHBondContact O-CB 3.48Å; R372-K376 WeakPolarHBondContact O-CG 3.5Å; R372-K376 PolarHBondContact O-N 3.23Å |
| 373 | V | 77.5 | Confident | 73 | Confident | 61 Ų | 61 | 121.9 Ų | 121.9 | 37% | 0.37 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.3 | -39.1 | 175.9 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | V369 E370 E371 K376 R377 | V369-V373 VanDerWaalsContact O-CG2 3.29Å; V369-V373 WeakPolarHBondContact O-CG2 3.3Å; V369-V373 PolarHBondContact O-N 3.12Å; E370-V373 PolarHBondContact O-N 3.13Å; E371-V373 VanDerWaalsContact C-N 3.31Å; E371-V373 PolarHBondContact O-N 3.19Å; V373-K376 PolarHBondContact O-N 2.7Å; V373-R377 WeakPolarHBondContact O-CB 3.39Å; V373-R377 WeakPolarHBondContact O-CG 3.45Å; V373-R377 PolarHBondContact O-N 3Å |
| 374 | K | 77 | Confident | 71.4 | Confident | 113 Ų | 113 | 119.4 Ų | 119.4 | 49% | 0.491 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.8 | -43.3 | 174.7 | -75.8 | 170.5 | -176.5 | 166.1 | 0 | 112 | E370 E371 R377 K378 | E370-K374 VanDerWaalsContact CD-NZ 3.33Å; E370-K374 WeakPolarHBondContact O-CB 3.32Å; E370-K374 VanDerWaalsContact O-CG 3.3Å; E370-K374 WeakPolarHBondContact O-CG 3.42Å; E370-K374 PolarHBondContact O-N 3.38Å; E370-K374 WeakPolarHBondContact OE1-CE 3.25Å; E370-K374 IonicContact OE1-NZ 2.97Å; E370-K374 PolarHBondContact OE1-NZ 3.49Å; E370-K374 IonicContact OE2-NZ 2.83Å; E371-K374 PolarHBondContact O-N 2.7Å; K374-R377 PolarHBondContact O-N 3.18Å; K374-K378 WeakPolarHBondContact O-CB 3.39Å; K374-K378 PolarHBondContact O-N 2.62Å |
| 375 | L | 70.9 | Confident | 69.4 | Low | 120 Ų | 120 | 116.9 Ų | 116.9 | 63% | 0.628 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.5 | -43.6 | 175.5 | -70.5 | 171 | 0 | 0 | 0 | 111.6 | E371 R377 K378 S379 | E371-L375 WeakPolarHBondContact O-CG 3.03Å; E371-L375 PolarHBondContact O-N 3.39Å; L375-R377 VanDerWaalsContact C-N 3.32Å; L375-R377 PolarHBondContact O-N 3.43Å; L375-K378 PolarHBondContact O-N 3.39Å; L375-S379 PolarHBondContact O-N 3.12Å; L375-S379 PolarHBondContact O-OG 3.17Å |
| 376 | K | 71.4 | Confident | 67.3 | Low | 152 Ų | 152 | 116.9 Ų | 116.9 | 66% | 0.661 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.7 | -32.1 | 174.3 | -75.5 | -174.4 | 177 | -167.9 | 0 | 113.3 | R372 V373 S379 K380 | R372-K376 WeakPolarHBondContact O-CB 3.48Å; R372-K376 WeakPolarHBondContact O-CG 3.5Å; R372-K376 PolarHBondContact O-N 3.23Å; V373-K376 PolarHBondContact O-N 2.7Å; K376-S379 PolarHBondContact O-OG 3.31Å; K376-K380 WeakPolarHBondContact O-CB 3.19Å; K376-K380 PolarHBondContact O-N 2.88Å |
| 377 | R | 68.4 | Low | 65.2 | Low | 181 Ų | 181 | 117.2 Ų | 117.2 | 68% | 0.683 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -72.7 | -37.3 | 173.1 | -76.1 | 176.8 | 177.8 | 179.6 | 0.1 | 111.6 | V373 K374 L375 K380 N381 | V373-R377 WeakPolarHBondContact O-CB 3.39Å; V373-R377 WeakPolarHBondContact O-CG 3.45Å; V373-R377 PolarHBondContact O-N 3Å; K374-R377 PolarHBondContact O-N 3.18Å; L375-R377 VanDerWaalsContact C-N 3.32Å; L375-R377 PolarHBondContact O-N 3.43Å; R377-K380 PolarHBondContact O-N 2.92Å; R377-N381 WeakPolarHBondContact O-CB 3.31Å; R377-N381 PolarHBondContact O-N 3.16Å |
| 378 | K | 64.6 | Low | 62.9 | Low | 153 Ų | 153 | 117.6 Ų | 117.6 | 67% | 0.665 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -71 | -36.1 | 178.1 | -164.9 | 169.2 | -178.2 | 177.6 | 0 | 112.4 | K374 L375 | K374-K378 WeakPolarHBondContact O-CB 3.39Å; K374-K378 PolarHBondContact O-N 2.62Å; L375-K378 PolarHBondContact O-N 3.39Å |
| 379 | S | 60 | Low | 60.7 | Low | 77 Ų | 77 | 120 Ų | 120 | 54% | 0.538 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -74.5 | -26 | 173.2 | 64.9 | 0 | 0 | 0 | 0 | 113.2 | L375 K376 | L375-S379 PolarHBondContact O-N 3.12Å; L375-S379 PolarHBondContact O-OG 3.17Å; K376-S379 PolarHBondContact O-OG 3.31Å |
| 380 | K | 55.6 | Low | 58.3 | Low | 181 Ų | 181 | 124.7 Ų | 124.7 | 79% | 0.787 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -94.2 | -3 | -179 | -152.2 | 173.9 | -166.3 | -179 | 0 | 113.6 | K376 R377 P382 | K376-K380 WeakPolarHBondContact O-CB 3.19Å; K376-K380 PolarHBondContact O-N 2.88Å; R377-K380 PolarHBondContact O-N 2.92Å; K380-P382 VanDerWaalsContact O-CD 3.25Å; K380-P382 WeakPolarHBondContact O-CD 3.5Å |
| 381 | N | 44.3 | Very low | 56.5 | Low | 72 Ų | 72 | 127.2 Ų | 127.2 | 39% | 0.385 | 63% | 0.627 | S | S | . | * | trans | -96.8 | 99.5 | 171.2 | -157.1 | 36 | 0 | 0 | 0 | 109 | R377 E383 | R377-N381 WeakPolarHBondContact O-CB 3.31Å; R377-N381 PolarHBondContact O-N 3.16Å; N381-E383 PolarHBondContact O-N 3.37Å | ||
| 382 | P | 49.5 | Very low | 54.7 | Low | 84 Ų | 84 | 131 Ų | 131 | 55% | 0.545 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.4 | -22.1 | 177.2 | 27 | -33.4 | 0 | 0 | 0 | 112.2 | K380 A384 L385 E386 | K380-P382 VanDerWaalsContact O-CD 3.25Å; K380-P382 WeakPolarHBondContact O-CD 3.5Å; P382-A384 VanDerWaalsContact C-N 3.28Å; P382-A384 PolarHBondContact O-N 3.22Å; P382-L385 PolarHBondContact O-N 2.8Å; P382-L385 VanDerWaalsContact O-N 3.13Å; P382-E386 PolarHBondContact O-N 3.16Å |
| 383 | E | 46.4 | Very low | 53.1 | Low | 140 Ų | 140 | 126.8 Ų | 126.8 | 65% | 0.654 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -67.7 | -20.3 | -175.3 | -147.3 | 167.7 | -159.5 | 0 | 0 | 114 | N381 | N381-E383 PolarHBondContact O-N 3.37Å |
| 384 | A | 47.1 | Very low | 51.7 | Low | 47 Ų | 47 | 132.1 Ų | 132.1 | 39% | 0.388 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -90.8 | -9.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | P382 | P382-A384 VanDerWaalsContact C-N 3.28Å; P382-A384 PolarHBondContact O-N 3.22Å |
| 385 | L | 43.5 | Very low | 50.7 | Low | 128 Ų | 128 | 134.6 Ų | 134.6 | 67% | 0.67 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -95.6 | -24.3 | 171.1 | -85.1 | 147.1 | 0 | 0 | 0 | 111.2 | P382 | P382-L385 PolarHBondContact O-N 2.8Å; P382-L385 VanDerWaalsContact O-N 3.13Å |
| 386 | E | 43.7 | Very low | 49.9 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 60% | 0.598 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -74.8 | -20.7 | 175.5 | -73.4 | -178.1 | 169.5 | 0 | 0 | 113.7 | P382 N388 D389 | P382-E386 PolarHBondContact O-N 3.16Å; E386-N388 PolarHBondContact O-N 2.96Å; E386-N388 VanDerWaalsContact O-N 3.1Å; E386-D389 PolarHBondContact O-N 3.49Å |
| 387 | E | 40.7 | Very low | 49.3 | Very low | 166 Ų | 166 | 138.2 Ų | 138.2 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 2.5 | 180 | -148.1 | 177.9 | -164.3 | 0 | 0 | 114.1 | ||
| 388 | N | 40.8 | Very low | 49 | Very low | 136 Ų | 136 | 136 Ų | 136 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.2 | 9.5 | 175.6 | -67.3 | -79.9 | 0 | 0 | 0 | 114.4 | E386 | E386-N388 PolarHBondContact O-N 2.96Å; E386-N388 VanDerWaalsContact O-N 3.1Å |
| 389 | D | 39.8 | Very low | 48.9 | Very low | 144 Ų | 144 | 138.4 Ų | 138.4 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -116.1 | 14 | -179.2 | -87.8 | -33.6 | 0 | 0 | 0 | 114.3 | E386 | E386-D389 PolarHBondContact O-N 3.49Š|
| 390 | D | 38.5 | Very low | 49.2 | Very low | 159 Ų | 159 | 142.7 Ų | 142.7 | 85% | 0.85 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -103.9 | 12.2 | 176.8 | -80.5 | -36.5 | 0 | 0 | 0 | 114.6 | ||
| 391 | D | 46.8 | Very low | 50.2 | Low | 154 Ų | 154 | 137.2 Ų | 137.2 | 82% | 0.824 | 73% | 0.729 | S | S | * | * | trans | -124.5 | 54.2 | 177.7 | -162.7 | 50.2 | 0 | 0 | 0 | 113.4 | ||||
| 392 | E | 44.3 | Very low | 52.2 | Low | 203 Ų | 203 | 143.5 Ų | 143.5 | 95% | 0.949 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -140.2 | 96.7 | 157.9 | -77.4 | -165.3 | 163.1 | 0 | 0 | 111.9 | ||
| 393 | G | 44.8 | Very low | 53.9 | Low | 64 Ų | 64 | 151.2 Ų | 151.2 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | trans | 121.7 | 48.1 | 142 | 0 | 0 | 0 | 0 | 0 | 118.7 | E395 | G393-E395 PolarHBondContact O-N 2.96Š| ||
| 394 | D | 46.6 | Very low | 56 | Low | 173 Ų | 173 | 147.8 Ų | 147.8 | 93% | 0.925 | 77% | 0.773 | S | S | * | * | trans | -72.4 | 72.6 | 144.3 | -101.2 | -13.6 | 0 | 0 | 0 | 107.7 | E396 | D394-E396 PolarHBondContact O-N 3.41Š| ||
| 395 | E | 57.3 | Low | 58.1 | Low | 164 Ų | 164 | 151.5 Ų | 151.5 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -61 | 118.5 | 164 | -78.6 | -176.5 | 166.4 | 0 | 0 | 107.1 | G393 L397 | G393-E395 PolarHBondContact O-N 2.96Å; E395-L397 PolarHBondContact O-N 3.24Å | ||
| 396 | E | 54.6 | Low | 60.4 | Low | 196 Ų | 196 | 148.6 Ų | 148.6 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | trans | -46.6 | 100 | 170.7 | -72.3 | -179.2 | 151.1 | 0 | 0 | 109.4 | D394 D398 | D394-E396 PolarHBondContact O-N 3.41Å; E396-D398 PolarHBondContact O-N 3.3Å | ||
| 397 | L | 58.4 | Low | 62.7 | Low | 153 Ų | 153 | 149.6 Ų | 149.6 | 80% | 0.801 | 77% | 0.772 | S | S | * | * | trans | -69.8 | 102.9 | 176.1 | -68.7 | 176 | 0 | 0 | 0 | 107.7 | E395 Q399 | E395-L397 PolarHBondContact O-N 3.24Å; L397-Q399 PolarHBondContact O-N 3.21Å; L397-Q399 VanDerWaalsContact O-N 3.09Å | ||
| 398 | D | 60.8 | Low | 65.1 | Low | 134 Ų | 134 | 149.5 Ų | 149.5 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | trans | -41.5 | 116.9 | 167 | -101.6 | -21.5 | 0 | 0 | 0 | 109.4 | E396 D400 A401 | E396-D398 PolarHBondContact O-N 3.3Å; D398-D400 PolarHBondContact O-N 3.08Å; D398-A401 HydrophobicContact CB-CB 4.06Å; D398-A401 WeakPolarHBondContact O-CB 3.28Å; D398-A401 PolarHBondContact O-N 3.46Å | ||
| 399 | Q | 63.3 | Low | 67.4 | Low | 204 Ų | 204 | 148.8 Ų | 148.8 | 95% | 0.953 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -11.8 | -172.1 | -65.9 | 176.2 | 27 | 0 | 0 | 113.4 | L397 | L397-Q399 PolarHBondContact O-N 3.21Å; L397-Q399 VanDerWaalsContact O-N 3.09Å |
| 400 | D | 65.5 | Low | 70.1 | Confident | 166 Ų | 166 | 144.5 Ų | 144.5 | 89% | 0.888 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | 0.2 | 178.7 | -128.7 | -2.5 | 0 | 0 | 0 | 113.4 | D398 | D398-D400 PolarHBondContact O-N 3.08Š|
| 401 | A | 78.4 | Confident | 72.7 | Confident | 66 Ų | 66 | 142.8 Ų | 142.8 | 55% | 0.545 | 74% | 0.735 | S | S | . | * | S | Bend | trans | -83.6 | 123.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D398 R403 | D398-A401 HydrophobicContact CB-CB 4.06Å; D398-A401 WeakPolarHBondContact O-CB 3.28Å; D398-A401 PolarHBondContact O-N 3.46Å; A401-R403 PolarHBondContact O-N 2.94Å |
| 402 | K | 84.5 | Confident | 75 | Confident | 205 Ų | 205 | 141.8 Ų | 141.8 | 89% | 0.891 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 124.2 | 172.9 | -67.4 | 177.2 | -177.1 | 174.2 | 0 | 109.4 | G404 | K402-G404 PolarHBondContact O-N 3.4Å; K402-G404 VanDerWaalsContact O-N 3.14Å |
| 403 | R | 85.6 | Confident | 77.1 | Confident | 245 Ų | 245 | 137.9 Ų | 137.9 | 93% | 0.925 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -56 | 118.7 | 176 | -62.8 | -177.6 | -177.2 | -164.2 | -1.5 | 110.1 | A401 | A401-R403 PolarHBondContact O-N 2.94Š|
| 404 | G | 89.9 | Confident | 79.4 | Confident | 68 Ų | 68 | 138.1 Ų | 138.1 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 154.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K402 | K402-G404 PolarHBondContact O-N 3.4Å; K402-G404 VanDerWaalsContact O-N 3.14Å |
| 405 | I | 92.2 | Very high | 81.6 | Confident | 125 Ų | 125 | 138.8 Ų | 138.8 | 64% | 0.641 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 133 | 170.2 | -173.6 | 171.1 | 0 | 0 | 0 | 109.7 | M409 A410 | I405-M409 HydrophobicContact CD1-CB 4.04Å; I405-M409 HydrophobicContact CG1-CB 3.68Å; I405-A410 HydrophobicContact CD1-CB 4.16Å; I405-A410 HydrophobicContact CG1-CB 4.31Å; I405-A410 HydrophobicContact CG2-CB 4.43Å |
| 406 | T | 92.4 | Very high | 83.2 | Confident | 67 Ų | 67 | 135 Ų | 135 | 41% | 0.411 | 70% | 0.703 | S | S | . | * | P | Polyproline II helix | trans | -71.5 | 153.3 | 177.4 | 68.2 | 0 | 0 | 0 | 0 | 110.9 | Q408 M409 A410 | T406-Q408 PolarHBondContact O-N 3.48Å; T406-M409 PolarHBondContact O-N 3.41Å; T406-M409 VanDerWaalsContact O-N 3.15Å; T406-M409 VanDerWaalsContact OG1-CG 3.26Å; T406-M409 WeakPolarHBondContact OG1-CG 3.47Å; T406-M409 PolarHBondContact OG1-N 2.91Å; T406-A410 WeakPolarHBondContact O-CB 3.36Å; T406-A410 PolarHBondContact O-N 3.34Å |
| 407 | Y | 91.3 | Very high | 85.1 | Confident | 149 Ų | 149 | 130.7 Ų | 130.7 | 58% | 0.584 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -58.5 | -34.7 | 178.6 | -178.1 | -97.6 | 0 | 0 | 0 | 112.7 | A410 K411 K413 | Y407-A410 PolarHBondContact O-N 3.2Å; Y407-K411 HydrophobicContact CD1-CG 4.36Å; Y407-K411 HydrophobicContact CD2-CG 4.08Å; Y407-K411 HydrophobicContact CE1-CB 4.48Å; Y407-K411 HydrophobicContact CE1-CG 3.96Å; Y407-K411 HydrophobicContact CE2-CD 4.44Å; Y407-K411 HydrophobicContact CE2-CG 3.67Å; Y407-K411 HydrophobicContact CG-CG 4.42Å; Y407-K411 WeakPolarHBondContact O-CB 3.36Å; Y407-K411 PolarHBondContact O-N 2.91Å; Y407-K413 PolarHBondContact OH-NZ 2.96Å |
| 408 | Q | 91.4 | Very high | 86.8 | Confident | 164 Ų | 164 | 133.7 Ų | 133.7 | 77% | 0.766 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -61.7 | -48.9 | 176.7 | -65.1 | -179.8 | -1.9 | 0 | 0 | 111 | T406 K411 N412 | T406-Q408 PolarHBondContact O-N 3.48Å; Q408-K411 PolarHBondContact O-N 3.48Å; Q408-N412 PolarHBondContact O-N 2.81Å |
| 409 | M | 89.8 | Confident | 88.3 | Confident | 122 Ų | 122 | 136.4 Ų | 136.4 | 60% | 0.601 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -68 | -33.8 | 176.8 | -67.3 | 174.2 | -176.9 | 0 | 0 | 112.4 | I405 T406 N412 | I405-M409 HydrophobicContact CD1-CB 4.04Å; I405-M409 HydrophobicContact CG1-CB 3.68Å; T406-M409 PolarHBondContact O-N 3.41Å; T406-M409 VanDerWaalsContact O-N 3.15Å; T406-M409 VanDerWaalsContact OG1-CG 3.26Å; T406-M409 WeakPolarHBondContact OG1-CG 3.47Å; T406-M409 PolarHBondContact OG1-N 2.91Å; M409-N412 PolarHBondContact O-ND2 3.5Å; M409-N412 PolarHBondContact O-OD1 3.47Å |
| 410 | A | 94.5 | Very high | 89.8 | Confident | 54 Ų | 54 | 134 Ų | 134 | 45% | 0.446 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -72.4 | -32.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I405 T406 Y407 | I405-A410 HydrophobicContact CD1-CB 4.16Å; I405-A410 HydrophobicContact CG1-CB 4.31Å; I405-A410 HydrophobicContact CG2-CB 4.43Å; T406-A410 WeakPolarHBondContact O-CB 3.36Å; T406-A410 PolarHBondContact O-N 3.34Å; Y407-A410 PolarHBondContact O-N 3.2Å |
| 411 | K | 95 | Very high | 91.2 | Very high | 123 Ų | 123 | 134.4 Ų | 134.4 | 54% | 0.535 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -102.3 | -18.7 | -176.5 | -64.5 | -57.8 | -175.4 | -171.8 | 0 | 114.7 | Y407 Q408 K413 | Y407-K411 HydrophobicContact CD1-CG 4.36Å; Y407-K411 HydrophobicContact CD2-CG 4.08Å; Y407-K411 HydrophobicContact CE1-CB 4.48Å; Y407-K411 HydrophobicContact CE1-CG 3.96Å; Y407-K411 HydrophobicContact CE2-CD 4.44Å; Y407-K411 HydrophobicContact CE2-CG 3.67Å; Y407-K411 HydrophobicContact CG-CG 4.42Å; Y407-K411 WeakPolarHBondContact O-CB 3.36Å; Y407-K411 PolarHBondContact O-N 2.91Å; Q408-K411 PolarHBondContact O-N 3.48Å; K411-K413 HydrophobicContact CB-CD 4.22Å; K411-K413 HydrophobicContact CB-CG 3.93Å; K411-K413 PolarHBondContact O-N 3.3Å |
| 412 | N | 93.5 | Very high | 91.9 | Very high | 133 Ų | 133 | 134 Ų | 134 | 71% | 0.711 | 67% | 0.667 | S | S | * | * | trans | 42 | 44.4 | 177.6 | -68.4 | -30.3 | 0 | 0 | 0 | 113.3 | Q408 M409 G414 | Q408-N412 PolarHBondContact O-N 2.81Å; M409-N412 PolarHBondContact O-ND2 3.5Å; M409-N412 PolarHBondContact O-OD1 3.47Å; N412-G414 VanDerWaalsContact C-N 3.29Å; N412-G414 PolarHBondContact O-N 3.21Å | ||
| 413 | K | 90 | Very high | 92.3 | Very high | 121 Ų | 121 | 127.5 Ų | 127.5 | 53% | 0.526 | 64% | 0.642 | S | S | . | * | trans | -72.3 | -23.3 | -176.9 | -69 | 174.9 | -177.9 | 174.3 | 0 | 112.5 | Y407 K411 T416 | Y407-K413 PolarHBondContact OH-NZ 2.96Å; K411-K413 HydrophobicContact CB-CD 4.22Å; K411-K413 HydrophobicContact CB-CG 3.93Å; K411-K413 PolarHBondContact O-N 3.3Å; K413-T416 VanDerWaalsContact O-CG2 3.3Å; K413-T416 WeakPolarHBondContact O-CG2 3.4Å | ||
| 414 | G | 92.2 | Very high | 92.7 | Very high | 68 Ų | 68 | 125.5 Ų | 125.5 | 70% | 0.701 | 63% | 0.634 | S | S | * | * | trans | 65.9 | -159.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N412 T416 | N412-G414 VanDerWaalsContact C-N 3.29Å; N412-G414 PolarHBondContact O-N 3.21Å; G414-T416 VanDerWaalsContact C-N 3.35Å; G414-T416 PolarHBondContact O-N 2.93Å; G414-T416 VanDerWaalsContact O-N 3.11Å | ||
| 415 | L | 92.9 | Very high | 93 | Very high | 187 Ų | 187 | 125.4 Ų | 125.4 | 98% | 0.979 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -84.1 | 70.6 | -179.9 | -71 | 153.1 | 0 | 0 | 0 | 110.9 | ||
| 416 | T | 91.3 | Very high | 93.2 | Very high | 85 Ų | 85 | 123.5 Ų | 123.5 | 52% | 0.521 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -87.9 | 138.9 | 175.5 | 56.1 | 0 | 0 | 0 | 0 | 112 | K413 G414 | K413-T416 VanDerWaalsContact O-CG2 3.3Å; K413-T416 WeakPolarHBondContact O-CG2 3.4Å; G414-T416 VanDerWaalsContact C-N 3.35Å; G414-T416 PolarHBondContact O-N 2.93Å; G414-T416 VanDerWaalsContact O-N 3.11Å |
| 417 | P | 94.4 | Very high | 93.5 | Very high | 106 Ų | 106 | 128.4 Ų | 128.4 | 69% | 0.688 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 148.1 | 173.3 | -24.9 | 33.5 | 0 | 0 | 0 | 112.9 | R419 | P417-R419 PolarHBondContact O-N 2.85Š|
| 418 | K | 94.5 | Very high | 93.7 | Very high | 216 Ų | 216 | 122.7 Ų | 122.7 | 94% | 0.939 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 117.4 | 177 | -173.8 | 178.1 | 179 | 179.2 | 0 | 110.2 | ||
| 419 | R | 91.8 | Very high | 94 | Very high | 190 Ų | 190 | 119.5 Ų | 119.5 | 72% | 0.717 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 142.2 | 175.7 | -61.3 | -178.5 | -177.1 | 168.7 | 1 | 110.9 | P417 | P417-R419 PolarHBondContact O-N 2.85Š|
| 420 | K | 94.5 | Very high | 94.4 | Very high | 153 Ų | 153 | 119.4 Ų | 119.4 | 67% | 0.665 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 151.6 | 178.1 | -60.6 | -177.1 | 179.6 | -174.9 | 0 | 110.5 | I422 D423 | K420-I422 PolarHBondContact O-N 3.25Å; K420-D423 PolarHBondContact O-N 2.86Å; K420-D423 VanDerWaalsContact O-N 3.11Å |
| 421 | K | 94.4 | Very high | 94.5 | Very high | 175 Ų | 175 | 123.9 Ų | 123.9 | 76% | 0.761 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -59.8 | -34.3 | 178.5 | -171.2 | 176.3 | 179.6 | 179.9 | 0 | 112.1 | D423 R424 | K421-D423 VanDerWaalsContact C-N 3.28Å; K421-D423 PolarHBondContact O-N 2.97Å; K421-R424 VanDerWaalsContact O-CB 3.28Å; K421-R424 WeakPolarHBondContact O-CB 3.26Å; K421-R424 WeakPolarHBondContact O-CG 3.46Å; K421-R424 PolarHBondContact O-N 2.99Å; K421-R424 VanDerWaalsContact O-N 3.13Å |
| 422 | I | 93.4 | Very high | 94.6 | Very high | 57 Ų | 57 | 120.8 Ų | 120.8 | 29% | 0.292 | 58% | 0.579 | S | S | . | * | G | 310 helix | trans | -62.4 | -35.6 | 178.4 | -59.3 | 150.1 | 0 | 0 | 0 | 111.4 | K420 R424 N425 V428 K429 E432 | K420-I422 PolarHBondContact O-N 3.25Å; I422-R424 PolarHBondContact O-N 2.95Å; I422-N425 PolarHBondContact O-N 3.45Å; I422-V428 HydrophobicContact CG2-CG1 4.44Å; I422-K429 VanDerWaalsContact CG2-CA 3.42Å; I422-K429 HydrophobicContact CG2-CB 3.78Å; I422-K429 HydrophobicContact CG2-CG 4.2Å; I422-E432 WeakPolarHBondContact CD1-OE2 3.42Å; I422-E432 VanDerWaalsContact CG1-OE2 3.28Å; I422-E432 WeakPolarHBondContact CG1-OE2 3.43Å; I422-E432 WeakPolarHBondContact CG2-OE2 3.45Å |
| 423 | D | 92.8 | Very high | 94.8 | Very high | 70 Ų | 70 | 121.4 Ų | 121.4 | 37% | 0.374 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -72.1 | -12.6 | 179.3 | -64.7 | -49.1 | 0 | 0 | 0 | 113.1 | K420 K421 N425 K429 | K420-D423 PolarHBondContact O-N 2.86Å; K420-D423 VanDerWaalsContact O-N 3.11Å; K421-D423 VanDerWaalsContact C-N 3.28Å; K421-D423 PolarHBondContact O-N 2.97Å; D423-N425 VanDerWaalsContact C-N 3.3Å; D423-K429 WeakPolarHBondContact OD1-CD 3.43Å; D423-K429 VanDerWaalsContact OD1-CE 3.24Å; D423-K429 WeakPolarHBondContact OD1-CE 3.48Å; D423-K429 IonicContact OD1-NZ 3.63Å; D423-K429 PolarHBondContact OD1-NZ 2.95Å |
| 424 | R | 94.4 | Very high | 95.1 | Very high | 202 Ų | 202 | 122.7 Ų | 122.7 | 76% | 0.762 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -71.9 | -25.9 | 174 | -57.9 | -178.3 | -179 | -170.5 | 1.2 | 112.1 | K421 I422 | K421-R424 VanDerWaalsContact O-CB 3.28Å; K421-R424 WeakPolarHBondContact O-CB 3.26Å; K421-R424 WeakPolarHBondContact O-CG 3.46Å; K421-R424 PolarHBondContact O-N 2.99Å; K421-R424 VanDerWaalsContact O-N 3.13Å; I422-R424 PolarHBondContact O-N 2.95Å |
| 425 | N | 95.9 | Very high | 95.4 | Very high | 66 Ų | 66 | 126.8 Ų | 126.8 | 35% | 0.353 | 58% | 0.576 | S | S | . | * | trans | -127.3 | 109.2 | -178.8 | -172.1 | -25.8 | 0 | 0 | 0 | 110.9 | I422 D423 R427 V428 K429 | I422-N425 PolarHBondContact O-N 3.45Å; D423-N425 VanDerWaalsContact C-N 3.3Å; N425-R427 PolarHBondContact O-N 3.42Å; N425-R427 WeakPolarHBondContact OD1-CB 3.28Å; N425-R427 PolarHBondContact OD1-N 2.88Å; N425-V428 HydrophobicContact CB-CB 4.22Å; N425-V428 HydrophobicContact CB-CG2 3.96Å; N425-V428 PolarHBondContact O-N 3.32Å; N425-V428 VanDerWaalsContact O-N 3.12Å; N425-K429 PolarHBondContact O-N 2.95Å; N425-K429 VanDerWaalsContact O-N 3.14Å | ||
| 426 | P | 97.3 | Very high | 95.5 | Very high | 85 Ų | 85 | 125.6 Ų | 125.6 | 55% | 0.552 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60 | -34.3 | -175.7 | 24.6 | -33.6 | 0 | 0 | 0 | 112.2 | V428 K429 H430 | P426-V428 PolarHBondContact O-N 3.5Å; P426-K429 WeakPolarHBondContact O-CB 3.35Å; P426-K429 PolarHBondContact O-N 2.85Å; P426-H430 PolarHBondContact O-CD2 2.88Å; P426-H430 PolarHBondContact O-N 3.13Å |
| 427 | R | 97.3 | Very high | 95.7 | Very high | 170 Ų | 170 | 123.6 Ų | 123.6 | 64% | 0.642 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.8 | -43.5 | 179 | -171.2 | -179.3 | 69.5 | 103.4 | -2.6 | 111.9 | N425 H430 R431 | N425-R427 PolarHBondContact O-N 3.42Å; N425-R427 WeakPolarHBondContact OD1-CB 3.28Å; N425-R427 PolarHBondContact OD1-N 2.88Å; R427-H430 PolarHBondContact O-N 3.36Å; R427-R431 WeakPolarHBondContact O-CB 3.25Å; R427-R431 PolarHBondContact O-N 3.25Å |
| 428 | V | 97.3 | Very high | 95.7 | Very high | 30 Ų | 30 | 123.7 Ų | 123.7 | 18% | 0.182 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -67.3 | -42.1 | 179.8 | -179.6 | 0 | 0 | 0 | 0 | 109.9 | I422 N425 P426 H430 R431 E432 | I422-V428 HydrophobicContact CG2-CG1 4.44Å; N425-V428 HydrophobicContact CB-CB 4.22Å; N425-V428 HydrophobicContact CB-CG2 3.96Å; N425-V428 PolarHBondContact O-N 3.32Å; N425-V428 VanDerWaalsContact O-N 3.12Å; P426-V428 PolarHBondContact O-N 3.5Å; V428-H430 PolarHBondContact O-N 3.36Å; V428-R431 PolarHBondContact O-N 3.43Å; V428-E432 PolarHBondContact O-N 3.09Å |
| 429 | K | 97.5 | Very high | 95.6 | Very high | 96 Ų | 96 | 118 Ų | 118 | 42% | 0.417 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -56.4 | -47.9 | 173.9 | -173.4 | 175.1 | -177.8 | 159.8 | 0 | 112.9 | I422 D423 N425 P426 E432 K433 | I422-K429 VanDerWaalsContact CG2-CA 3.42Å; I422-K429 HydrophobicContact CG2-CB 3.78Å; I422-K429 HydrophobicContact CG2-CG 4.2Å; D423-K429 WeakPolarHBondContact OD1-CD 3.43Å; D423-K429 VanDerWaalsContact OD1-CE 3.24Å; D423-K429 WeakPolarHBondContact OD1-CE 3.48Å; D423-K429 IonicContact OD1-NZ 3.63Å; D423-K429 PolarHBondContact OD1-NZ 2.95Å; N425-K429 PolarHBondContact O-N 2.95Å; N425-K429 VanDerWaalsContact O-N 3.14Å; P426-K429 WeakPolarHBondContact O-CB 3.35Å; P426-K429 PolarHBondContact O-N 2.85Å; K429-E432 PolarHBondContact O-N 3.4Å; K429-K433 VanDerWaalsContact O-CB 3.31Å; K429-K433 WeakPolarHBondContact O-CB 3.32Å; K429-K433 PolarHBondContact O-N 3.42Å |
| 430 | H | 97.4 | Very high | 95.7 | Very high | 120 Ų | 120 | 116.3 Ų | 116.3 | 56% | 0.556 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.2 | -37.7 | 179.7 | -72.1 | -59.9 | 0 | 0 | 0 | 112.7 | P426 R427 V428 K433 F434 | P426-H430 PolarHBondContact O-CD2 2.88Å; P426-H430 PolarHBondContact O-N 3.13Å; R427-H430 PolarHBondContact O-N 3.36Å; V428-H430 PolarHBondContact O-N 3.36Å; H430-K433 PolarHBondContact O-N 3.4Å; H430-F434 WeakPolarHBondContact O-CB 3.41Å; H430-F434 PolarHBondContact O-N 3.26Å |
| 431 | R | 97.1 | Very high | 95.7 | Very high | 149 Ų | 149 | 117.9 Ų | 117.9 | 56% | 0.562 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.6 | -46.7 | 174.7 | -173.4 | -178.2 | 69.7 | -171.7 | 3.7 | 111.9 | R427 V428 F434 R435 | R427-R431 WeakPolarHBondContact O-CB 3.25Å; R427-R431 PolarHBondContact O-N 3.25Å; V428-R431 PolarHBondContact O-N 3.43Å; R431-F434 PolarHBondContact O-N 3.45Å; R431-R435 PolarHBondContact O-N 2.93Å |
| 432 | E | 97.1 | Very high | 95.4 | Very high | 57 Ų | 57 | 116.8 Ų | 116.8 | 27% | 0.266 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.7 | -38.8 | 178.4 | -74.4 | 178 | -166.4 | 0 | 0 | 112.6 | I422 V428 K429 F434 R435 R436 | I422-E432 WeakPolarHBondContact CD1-OE2 3.42Å; I422-E432 VanDerWaalsContact CG1-OE2 3.28Å; I422-E432 WeakPolarHBondContact CG1-OE2 3.43Å; I422-E432 WeakPolarHBondContact CG2-OE2 3.45Å; V428-E432 PolarHBondContact O-N 3.09Å; K429-E432 PolarHBondContact O-N 3.4Å; E432-F434 VanDerWaalsContact C-N 3.28Å; E432-F434 PolarHBondContact O-N 3.12Å; E432-R435 PolarHBondContact O-N 3.28Å; E432-R436 WeakPolarHBondContact O-CB 3.41Å; E432-R436 WeakPolarHBondContact O-CG 3.45Å; E432-R436 PolarHBondContact O-N 3.36Å |
| 433 | K | 97.3 | Very high | 95.1 | Very high | 147 Ų | 147 | 117.6 Ų | 117.6 | 64% | 0.639 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -57.9 | -44 | 173.5 | -173 | 179.5 | -179.8 | -177.2 | 0 | 110.8 | K429 H430 A437 | K429-K433 VanDerWaalsContact O-CB 3.31Å; K429-K433 WeakPolarHBondContact O-CB 3.32Å; K429-K433 PolarHBondContact O-N 3.42Å; H430-K433 PolarHBondContact O-N 3.4Å; K433-A437 WeakPolarHBondContact O-CB 3.5Å; K433-A437 PolarHBondContact O-N 3.22Å |
| 434 | F | 97.2 | Very high | 95 | Very high | 148 Ų | 148 | 122.2 Ų | 122.2 | 65% | 0.649 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.5 | -46.3 | 176.1 | -179.3 | -102.6 | 0 | 0 | 0 | 112.1 | H430 R431 E432 R436 A437 K438 | H430-F434 WeakPolarHBondContact O-CB 3.41Å; H430-F434 PolarHBondContact O-N 3.26Å; R431-F434 PolarHBondContact O-N 3.45Å; E432-F434 VanDerWaalsContact C-N 3.28Å; E432-F434 PolarHBondContact O-N 3.12Å; F434-R436 PolarHBondContact O-N 3.04Å; F434-A437 PolarHBondContact O-N 3.12Å; F434-K438 PolarHBondContact O-N 2.84Å |
| 435 | R | 96.8 | Very high | 94.7 | Very high | 153 Ų | 153 | 116.7 Ų | 116.7 | 58% | 0.577 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -55.2 | -50.6 | 175.5 | -172.4 | -177.2 | 72.8 | 107.7 | -3.6 | 111.5 | R431 E432 A437 K438 I439 | R431-R435 PolarHBondContact O-N 2.93Å; E432-R435 PolarHBondContact O-N 3.28Å; R435-A437 VanDerWaalsContact C-N 3.33Å; R435-A437 PolarHBondContact O-N 2.99Å; R435-K438 PolarHBondContact O-N 3.34Å; R435-I439 HydrophobicContact CG-CD1 4.3Å; R435-I439 WeakPolarHBondContact O-CG1 3.28Å; R435-I439 PolarHBondContact O-N 3.25Å; R435-I439 VanDerWaalsContact O-N 3.08Å |
| 436 | R | 96.3 | Very high | 94.3 | Very high | 162 Ų | 162 | 119.8 Ų | 119.8 | 61% | 0.611 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.7 | -38.4 | 178.7 | -69.1 | 178.5 | 75.2 | -172.8 | 4.2 | 112.3 | E432 F434 R440 | E432-R436 WeakPolarHBondContact O-CB 3.41Å; E432-R436 WeakPolarHBondContact O-CG 3.45Å; E432-R436 PolarHBondContact O-N 3.36Å; F434-R436 PolarHBondContact O-N 3.04Å; R436-R440 PolarHBondContact O-N 2.97Å |
| 437 | A | 95.7 | Very high | 93.7 | Very high | 43 Ų | 43 | 119 Ų | 119 | 36% | 0.355 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K433 F434 R435 R440 R441 | K433-A437 WeakPolarHBondContact O-CB 3.5Å; K433-A437 PolarHBondContact O-N 3.22Å; F434-A437 PolarHBondContact O-N 3.12Å; R435-A437 VanDerWaalsContact C-N 3.33Å; R435-A437 PolarHBondContact O-N 2.99Å; A437-R440 PolarHBondContact O-N 2.92Å; A437-R441 WeakPolarHBondContact O-CB 3.44Å; A437-R441 PolarHBondContact O-N 3Å |
| 438 | K | 94.2 | Very high | 93.2 | Very high | 109 Ų | 109 | 117.7 Ų | 117.7 | 47% | 0.474 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.6 | -42.5 | 176.8 | -167.1 | 175 | -178.3 | 178.7 | 0 | 111.7 | F434 R435 R441 R442 | F434-K438 PolarHBondContact O-N 2.84Å; R435-K438 PolarHBondContact O-N 3.34Å; K438-R441 PolarHBondContact O-N 2.77Å; K438-R442 WeakPolarHBondContact O-CG 3.41Å; K438-R442 PolarHBondContact O-N 2.78Å; K438-R442 VanDerWaalsContact O-N 3.12Å |
| 439 | I | 92.7 | Very high | 92.6 | Very high | 96 Ų | 96 | 124.3 Ų | 124.3 | 49% | 0.492 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.3 | -49.8 | 175.3 | -64.4 | 165.9 | 0 | 0 | 0 | 110.6 | R435 R441 R442 G443 | R435-I439 HydrophobicContact CG-CD1 4.3Å; R435-I439 WeakPolarHBondContact O-CG1 3.28Å; R435-I439 PolarHBondContact O-N 3.25Å; R435-I439 VanDerWaalsContact O-N 3.08Å; I439-R441 VanDerWaalsContact C-N 3.31Å; I439-R441 PolarHBondContact O-N 2.98Å; I439-R442 WeakPolarHBondContact O-CB 3.11Å; I439-R442 PolarHBondContact O-N 3Å; I439-R442 VanDerWaalsContact O-N 3.13Å; I439-G443 PolarHBondContact O-N 2.89Å |
| 440 | R | 94.3 | Very high | 92 | Very high | 155 Ų | 155 | 126.6 Ų | 126.6 | 59% | 0.585 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -58.7 | -41.8 | 178.5 | -170 | -176.5 | -59.6 | 98.9 | 1.8 | 112.5 | R436 A437 R442 G443 Q444 | R436-R440 PolarHBondContact O-N 2.97Å; A437-R440 PolarHBondContact O-N 2.92Å; R440-R442 VanDerWaalsContact C-N 3.35Å; R440-R442 PolarHBondContact O-N 3.1Å; R440-G443 PolarHBondContact O-N 3.41Å; R440-Q444 PolarHBondContact O-N 2.96Å |
| 441 | R | 92.6 | Very high | 91.4 | Very high | 186 Ų | 186 | 128.3 Ų | 128.3 | 70% | 0.702 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.2 | -41.6 | 177.4 | -173.3 | -178.1 | 178.9 | -168.5 | 0.4 | 111.7 | A437 K438 I439 G443 Q444 V445 | A437-R441 WeakPolarHBondContact O-CB 3.44Å; A437-R441 PolarHBondContact O-N 3Å; K438-R441 PolarHBondContact O-N 2.77Å; I439-R441 VanDerWaalsContact C-N 3.31Å; I439-R441 PolarHBondContact O-N 2.98Å; R441-G443 VanDerWaalsContact C-N 3.26Å; R441-G443 PolarHBondContact O-N 2.99Å; R441-Q444 PolarHBondContact O-N 2.63Å; R441-Q444 VanDerWaalsContact O-N 3.16Å; R441-V445 PolarHBondContact O-N 2.91Å; R441-V445 VanDerWaalsContact O-O 3.12Å |
| 442 | R | 89.4 | Confident | 90.9 | Very high | 151 Ų | 151 | 128.5 Ų | 128.5 | 57% | 0.57 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -61.3 | -33.7 | 176.8 | -74.4 | 175.3 | 173.6 | -177.4 | -5 | 112.6 | K438 I439 R440 | K438-R442 WeakPolarHBondContact O-CG 3.41Å; K438-R442 PolarHBondContact O-N 2.78Å; K438-R442 VanDerWaalsContact O-N 3.12Å; I439-R442 WeakPolarHBondContact O-CB 3.11Å; I439-R442 PolarHBondContact O-N 3Å; I439-R442 VanDerWaalsContact O-N 3.13Å; R440-R442 VanDerWaalsContact C-N 3.35Å; R440-R442 PolarHBondContact O-N 3.1Å |
| 443 | G | 87.2 | Confident | 90.5 | Very high | 75 Ų | 75 | 131.3 Ų | 131.3 | 77% | 0.773 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.7 | -33.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I439 R440 R441 | I439-G443 PolarHBondContact O-N 2.89Å; R440-G443 PolarHBondContact O-N 3.41Å; R441-G443 VanDerWaalsContact C-N 3.26Å; R441-G443 PolarHBondContact O-N 2.99Å |
| 444 | Q | 89.3 | Confident | 90.2 | Very high | 166 Ų | 166 | 135.7 Ų | 135.7 | 78% | 0.776 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -84.3 | -42.5 | -178.5 | -172.3 | 179.1 | -4.9 | 0 | 0 | 113 | R440 R441 | R440-Q444 PolarHBondContact O-N 2.96Å; R441-Q444 PolarHBondContact O-N 2.63Å; R441-Q444 VanDerWaalsContact O-N 3.16Å |
| 445 | V | 89.4 | Confident | 89.9 | Confident | 86 Ų | 86 | 135.3 Ų | 135.3 | 52% | 0.521 | 63% | 0.632 | S | S | . | * | S | Bend | trans | -129.8 | 124.2 | -178.1 | -177.3 | 0 | 0 | 0 | 0 | 108.2 | R441 S447 | R441-V445 PolarHBondContact O-N 2.91Å; R441-V445 VanDerWaalsContact O-O 3.12Å; V445-S447 PolarHBondContact O-N 3.32Å |
| 446 | Q | 86.4 | Confident | 89.5 | Confident | 132 Ų | 132 | 132.1 Ų | 132.1 | 62% | 0.617 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -66 | 124.6 | 175.7 | -167 | 169.3 | 4 | 0 | 0 | 109 | ||
| 447 | S | 84.8 | Confident | 89.2 | Confident | 67 Ų | 67 | 126.3 Ų | 126.3 | 47% | 0.469 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -71.2 | 148 | 173.1 | 54.5 | 0 | 0 | 0 | 0 | 110.3 | V445 R449 | V445-S447 PolarHBondContact O-N 3.32Å; S447-R449 PolarHBondContact O-N 3.26Å |
| 448 | V | 87.3 | Confident | 88.9 | Confident | 143 Ų | 143 | 129.7 Ų | 129.7 | 87% | 0.867 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 130 | 173 | -176.2 | 0 | 0 | 0 | 0 | 109.3 | ||
| 449 | R | 83.9 | Confident | 88.6 | Confident | 169 Ų | 169 | 129.2 Ų | 129.2 | 64% | 0.638 | 66% | 0.662 | S | S | * | * | trans | -106.6 | 136 | 175.2 | -68.9 | -179.5 | 175 | 162.3 | -5.1 | 108.5 | S447 | S447-R449 PolarHBondContact O-N 3.26Š| ||
| 450 | K | 86.1 | Confident | 88.3 | Confident | 145 Ų | 145 | 129.6 Ų | 129.6 | 63% | 0.63 | 67% | 0.673 | S | S | * | * | trans | -95.7 | 139.1 | 170 | -63.9 | -178.2 | -179.1 | 179.3 | 0 | 108.5 | S82 E452 | S82-K450 PolarHBondContact O-NZ 3.37Å; K450-E452 PolarHBondContact O-N 3.27Å | ||
| 451 | E | 84.9 | Confident | 88.2 | Confident | 156 Ų | 156 | 124.5 Ų | 124.5 | 73% | 0.729 | 67% | 0.669 | S | S | * | * | trans | -84.1 | 86.6 | 176.6 | -66.2 | -174.8 | 179 | 0 | 0 | 109.8 | T453 | E451-T453 VanDerWaalsContact C-N 3.33Š| ||
| 452 | E | 87.1 | Confident | 88.2 | Confident | 152 Ų | 152 | 121.6 Ų | 121.6 | 71% | 0.71 | 67% | 0.666 | S | S | * | * | trans | -75.1 | -27.4 | 175.2 | -68.9 | 176.2 | -168 | 0 | 0 | 112 | K450 | K450-E452 PolarHBondContact O-N 3.27Š| ||
| 453 | T | 87.7 | Confident | 88.4 | Confident | 117 Ų | 117 | 124.1 Ų | 124.1 | 72% | 0.718 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -118 | 157.2 | 178.7 | 56.8 | 0 | 0 | 0 | 0 | 111.2 | E451 Y455 | E451-T453 VanDerWaalsContact C-N 3.33Å; T453-Y455 PolarHBondContact O-N 3.31Å |
| 454 | R | 90.6 | Very high | 88.6 | Confident | 239 Ų | 239 | 125.5 Ų | 125.5 | 90% | 0.902 | 68% | 0.679 | S | S | * | * | trans | -55.4 | 135 | 174.9 | -171.6 | 176.8 | -178.5 | 86.4 | 1.3 | 110.4 | G456 | R454-G456 PolarHBondContact O-N 3.1Š| ||
| 455 | Y | 90.6 | Very high | 88.8 | Confident | 140 Ų | 140 | 121 Ų | 121 | 55% | 0.549 | 68% | 0.678 | S | S | . | * | trans | -52.8 | 118.2 | -178.3 | -176.4 | -108.4 | 0 | 0 | 0 | 112.4 | T453 | T453-Y455 PolarHBondContact O-N 3.31Š| ||
| 456 | G | 89.4 | Confident | 88.9 | Confident | 85 Ų | 85 | 120.4 Ų | 120.4 | 88% | 0.876 | 68% | 0.675 | S | S | * | * | trans | -102.8 | 0.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | R454 | R454-G456 PolarHBondContact O-N 3.1Š| ||
| 457 | G | 90.5 | Very high | 89.2 | Confident | 41 Ų | 41 | 123.3 Ų | 123.3 | 42% | 0.423 | 69% | 0.685 | S | S | . | * | trans | 105.7 | 173.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A459 | G457-A459 PolarHBondContact O-N 3.4Š| ||
| 458 | E | 88.7 | Confident | 89.4 | Confident | 113 Ų | 113 | 128.8 Ų | 128.8 | 53% | 0.528 | 70% | 0.7 | S | S | . | * | trans | -83.7 | 109.9 | 175.8 | -65.8 | -168.3 | -165.2 | 0 | 0 | 111.1 | S460 G461 I462 | E458-S460 PolarHBondContact O-N 3.13Å; E458-G461 PolarHBondContact O-N 3.22Å; E458-I462 HydrophobicContact CB-CG1 4.05Å; E458-I462 HydrophobicContact CG-CD1 4.21Å; E458-I462 HydrophobicContact CG-CG1 3.88Å; E458-I462 WeakPolarHBondContact OE1-CG1 3.29Å; E458-I462 WeakPolarHBondContact OE2-CG1 3.42Å | ||
| 459 | A | 86.9 | Confident | 89.5 | Confident | 100 Ų | 100 | 126.5 Ų | 126.5 | 83% | 0.826 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -40 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G457 G461 | G457-A459 PolarHBondContact O-N 3.4Å; A459-G461 VanDerWaalsContact C-N 3.29Å; A459-G461 PolarHBondContact O-N 3.41Å |
| 460 | S | 87.4 | Confident | 89.9 | Confident | 103 Ų | 103 | 124.6 Ų | 124.6 | 72% | 0.72 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 1.1 | -178.6 | -45.6 | 0 | 0 | 0 | 0 | 113.9 | E458 | E458-S460 PolarHBondContact O-N 3.13Š|
| 461 | G | 91.8 | Very high | 90.3 | Very high | 49 Ų | 49 | 127 Ų | 127 | 51% | 0.505 | 71% | 0.709 | S | S | . | * | trans | 79.6 | 150.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | E458 A459 | E458-G461 PolarHBondContact O-N 3.22Å; A459-G461 VanDerWaalsContact C-N 3.29Å; A459-G461 PolarHBondContact O-N 3.41Å | ||
| 462 | I | 92.6 | Very high | 90.7 | Very high | 124 Ų | 124 | 127.6 Ų | 127.6 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | trans | -94.8 | 125.7 | -179.5 | -63.3 | 160.4 | 0 | 0 | 0 | 110.1 | E458 | E458-I462 HydrophobicContact CB-CG1 4.05Å; E458-I462 HydrophobicContact CG-CD1 4.21Å; E458-I462 HydrophobicContact CG-CG1 3.88Å; E458-I462 WeakPolarHBondContact OE1-CG1 3.29Å; E458-I462 WeakPolarHBondContact OE2-CG1 3.42Å | ||
| 463 | R | 93 | Very high | 90.5 | Very high | 204 Ų | 204 | 133.8 Ų | 133.8 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | trans | -103.9 | 96.9 | 172.1 | -165.8 | 169.7 | 173.2 | 144.1 | -1.2 | 111.4 | G465 V466 | R463-G465 PolarHBondContact O-N 3.01Å; R463-G465 VanDerWaalsContact O-N 3.08Å; R463-V466 HydrophobicContact CB-CG2 4.31Å; R463-V466 HydrophobicContact CG-CG2 3.82Å; R463-V466 PolarHBondContact O-N 3.37Å | ||
| 464 | A | 91.9 | Very high | 90.6 | Very high | 104 Ų | 104 | 134.6 Ų | 134.6 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -25.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 465 | G | 93.6 | Very high | 90.6 | Very high | 73 Ų | 73 | 129.1 Ų | 129.1 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -8.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | R463 | R463-G465 PolarHBondContact O-N 3.01Å; R463-G465 VanDerWaalsContact O-N 3.08Å |
| 466 | V | 92.6 | Very high | 90.6 | Very high | 73 Ų | 73 | 128.5 Ų | 128.5 | 44% | 0.442 | 74% | 0.743 | S | S | . | * | trans | -98.9 | 118.1 | -172.8 | 177.7 | 0 | 0 | 0 | 0 | 110.5 | R463 K468 | R463-V466 HydrophobicContact CB-CG2 4.31Å; R463-V466 HydrophobicContact CG-CG2 3.82Å; R463-V466 PolarHBondContact O-N 3.37Å; V466-K468 HydrophobicContact CG1-CG 3.94Å | ||
| 467 | K | 91.3 | Very high | 90.7 | Very high | 193 Ų | 193 | 131.1 Ų | 131.1 | 84% | 0.839 | 74% | 0.736 | S | S | * | * | trans | -104.5 | 114.9 | 173.9 | -59.9 | -177.9 | -176.9 | -177.4 | 0 | 109.3 | ||||
| 468 | K | 88.6 | Confident | 90.7 | Very high | 181 Ų | 181 | 136.7 Ų | 136.7 | 79% | 0.787 | 76% | 0.755 | S | S | * | * | trans | -101.2 | 15 | -179.8 | -62.1 | -173.1 | -178.7 | 177.7 | 0 | 114 | V466 | V466-K468 HydrophobicContact CG1-CG 3.94Š| ||
| 469 | S | 90.4 | Very high | 90.8 | Very high | 96 Ų | 96 | 138.3 Ų | 138.3 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -79 | 145.3 | 178.1 | 55.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 470 | T | 92.4 | Very high | 91.1 | Very high | 129 Ų | 129 | 141 Ų | 141 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 123.7 | 168.4 | 44.8 | 0 | 0 | 0 | 0 | 109.3 | ||
| 471 | K | 94.2 | Very high | 91.4 | Very high | 196 Ų | 196 | 143.9 Ų | 143.9 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 121 | 174.8 | -65.4 | -179.2 | -177.9 | 176.6 | 0 | 108.8 | ||
| 472 | L | 92.9 | Very high | 91.3 | Very high | 168 Ų | 168 | 151.8 Ų | 151.8 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 135.5 | 167.8 | -57.9 | 176.9 | 0 | 0 | 0 | 108 | ||
| 473 | K | 82.4 | Confident | 91.2 | Very high | 281 Ų | 281 | 154.4 Ų | 154.4 | 100% | 1.222 | 81% | 0.806 | S | S | * | * | trans | -87.9 | 0 | -177.7 | -82.3 | -173.2 | 176.5 | 179.7 | 0 | 111 |
Retrieved 473 of 473 residues in 304.6 ms
(Link to these results)