| 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 | 37.3 | Very low | 42.8 | Very low | 245 Ų | 245 | 138 Ų | 138 | 100% | 1.207 | 87% | 0.865 | S | S | * | * | 0 | 134.5 | 0 | -67.6 | -163.8 | 176.4 | 0 | 0 | 107.5 | |||||
| 2 | G | 42.2 | Very low | 42.9 | Very low | 74 Ų | 74 | 136.8 Ų | 136.8 | 76% | 0.763 | 86% | 0.86 | S | S | * | * | trans | -67.9 | -169.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 3 | P | 53.1 | Low | 42.8 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 87% | 0.87 | 86% | 0.863 | S | S | * | * | cis | -140.4 | 180 | 38.2 | 37.5 | -16.2 | 0 | 0 | 0 | 117.2 | ||||
| 4 | C | 43.7 | Very low | 42.7 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 82% | 0.818 | 86% | 0.858 | S | S | * | * | trans | -81.5 | 159.4 | -171.9 | -50.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 5 | S | 44.6 | Very low | 42.7 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 92% | 0.923 | 86% | 0.86 | S | S | * | * | trans | 158.6 | 136.1 | 133.6 | -73 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 6 | G | 36.8 | Very low | 42.9 | Very low | 69 Ų | 69 | 139.1 Ų | 139.1 | 71% | 0.711 | 85% | 0.853 | S | S | * | * | cis | -174.3 | 165.5 | -3.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 7 | S | 40.4 | Very low | 42.7 | Very low | 123 Ų | 123 | 138 Ų | 138 | 86% | 0.86 | 85% | 0.848 | S | S | * | * | trans | 59 | 102.3 | 145.8 | -48 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 8 | R | 40.3 | Very low | 42.8 | Very low | 253 Ų | 253 | 136.7 Ų | 136.7 | 96% | 0.955 | 85% | 0.845 | S | S | * | * | -164.9 | 105.9 | 110.9 | -112.8 | 179.9 | -157.1 | -112.4 | 1.3 | 111.3 | |||||
| 9 | L | 40.9 | Very low | 43.3 | Very low | 178 Ų | 178 | 137.9 Ų | 137.9 | 93% | 0.932 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 117.2 | 164.2 | -71.9 | 158.8 | 0 | 0 | 0 | 108.3 | ||
| 10 | G | 43.7 | Very low | 43.4 | Very low | 65 Ų | 65 | 136.5 Ų | 136.5 | 67% | 0.67 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 136.9 | 156.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 11 | P | 48 | Very low | 43.6 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 81% | 0.805 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 142.4 | 177.3 | 28.7 | -30.6 | 0 | 0 | 0 | 110.3 | ||
| 12 | P | 44.2 | Very low | 44.1 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 144.9 | 172.8 | 29.1 | -32.2 | 0 | 0 | 0 | 110.9 | A14 | P12-A14 PolarHBondContact O-N 2.64Š|
| 13 | E | 40.9 | Very low | 44.4 | Very low | 193 Ų | 193 | 140.6 Ų | 140.6 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | trans | -41.5 | 123.9 | 171.3 | -134.2 | 178.3 | 140.6 | 0 | 0 | 111.5 | E15 | E13-E15 PolarHBondContact O-N 3.39Å; E13-E15 VanDerWaalsContact O-N 3.13Å | ||
| 14 | A | 41.8 | Very low | 44.6 | Very low | 96 Ų | 96 | 145.5 Ų | 145.5 | 79% | 0.793 | 82% | 0.819 | S | S | * | * | trans | -68.6 | 108.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | P12 S16 | P12-A14 PolarHBondContact O-N 2.64Å; A14-S16 PolarHBondContact O-N 3.31Å | ||
| 15 | E | 42.7 | Very low | 44.6 | Very low | 188 Ų | 188 | 148.9 Ų | 148.9 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | trans | -56.3 | 118.7 | 169.2 | -157.5 | -179.4 | 146.4 | 0 | 0 | 109.5 | E13 | E13-E15 PolarHBondContact O-N 3.39Å; E13-E15 VanDerWaalsContact O-N 3.13Å | ||
| 16 | S | 45.3 | Very low | 44.4 | Very low | 107 Ų | 107 | 150.7 Ų | 150.7 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | -57.6 | 129 | 176.4 | -93.4 | 0 | 0 | 0 | 0 | 110.8 | A14 S18 | A14-S16 PolarHBondContact O-N 3.31Å; S16-S18 PolarHBondContact O-N 3.36Å | ||
| 17 | P | 40.9 | Very low | 44.7 | Very low | 120 Ų | 120 | 158.5 Ų | 158.5 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | trans | -68.8 | 110.5 | 173.8 | 26.6 | -30.1 | 0 | 0 | 0 | 109 | Q19 | P17-Q19 PolarHBondContact O-N 3.34Š| ||
| 18 | S | 44.5 | Very low | 44.9 | Very low | 114 Ų | 114 | 160.8 Ų | 160.8 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -44.4 | 119.9 | 167.8 | 44.7 | 0 | 0 | 0 | 0 | 110.4 | S16 | S16-S18 PolarHBondContact O-N 3.36Š| ||
| 19 | Q | 51.9 | Low | 45.6 | Very low | 161 Ų | 161 | 156.2 Ų | 156.2 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 134.6 | 176.6 | -68.5 | -154.3 | -15.8 | 0 | 0 | 109.6 | P17 | P17-Q19 PolarHBondContact O-N 3.34Š|
| 20 | P | 45 | Very low | 46.7 | Very low | 109 Ų | 109 | 153.9 Ų | 153.9 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 141.9 | 175 | 25.1 | -32.4 | 0 | 0 | 0 | 108.8 | K22 | P20-K22 PolarHBondContact O-N 3.37Š|
| 21 | P | 47.7 | Very low | 48 | Very low | 119 Ų | 119 | 154.8 Ų | 154.8 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 119.2 | 180 | 22 | -32 | 0 | 0 | 0 | 107.9 | R23 | P21-R23 VanDerWaalsContact C-N 3.34Å; P21-R23 PolarHBondContact O-N 3.38Å |
| 22 | K | 46.5 | Very low | 49.6 | Very low | 182 Ų | 182 | 152.9 Ų | 152.9 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | -47.3 | 104.2 | 173.5 | -71.9 | -179.9 | -179.6 | 175.5 | 0 | 106.2 | P20 R24 | P20-K22 PolarHBondContact O-N 3.37Å; K22-R24 VanDerWaalsContact C-N 3.28Å; K22-R24 PolarHBondContact O-N 3.39Å | ||
| 23 | R | 49.5 | Very low | 51.5 | Low | 241 Ų | 241 | 151.7 Ų | 151.7 | 91% | 0.909 | 74% | 0.735 | S | S | * | * | trans | -52.9 | 103.7 | 174.9 | -83 | 174.4 | 75.9 | -175.2 | 5 | 104.4 | P21 K25 | P21-R23 VanDerWaalsContact C-N 3.34Å; P21-R23 PolarHBondContact O-N 3.38Å; R23-K25 PolarHBondContact O-N 3.02Å | ||
| 24 | R | 56.3 | Low | 53.8 | Low | 236 Ų | 236 | 142.7 Ų | 142.7 | 89% | 0.891 | 69% | 0.693 | S | S | * | * | trans | -55.9 | 98.7 | 166 | -91.3 | 179.4 | 147.1 | -176.1 | -4.3 | 103 | K22 K26 | K22-R24 VanDerWaalsContact C-N 3.28Å; K22-R24 PolarHBondContact O-N 3.39Å; R24-K26 VanDerWaalsContact C-N 3.32Å; R24-K26 PolarHBondContact O-N 3.44Å | ||
| 25 | K | 45.7 | Very low | 56.1 | Low | 192 Ų | 192 | 138.1 Ų | 138.1 | 84% | 0.835 | 66% | 0.655 | S | S | * | * | trans | -51.3 | 108.9 | 176.8 | -153.8 | 170 | -171 | 174.2 | 0 | 102.5 | R23 R27 | R23-K25 PolarHBondContact O-N 3.02Å; K25-R27 VanDerWaalsContact C-N 3.28Å; K25-R27 PolarHBondContact O-N 2.77Å | ||
| 26 | K | 40 | Very low | 58.4 | Low | 171 Ų | 171 | 129.2 Ų | 129.2 | 74% | 0.743 | 61% | 0.613 | S | S | * | * | trans | -50 | 109.3 | 176.4 | -84.8 | 178.5 | 178.9 | 177.1 | 0 | 102.6 | R24 Y28 | R24-K26 VanDerWaalsContact C-N 3.32Å; R24-K26 PolarHBondContact O-N 3.44Å; K26-Y28 HydrophobicContact CB-CE2 4.48Å; K26-Y28 VanDerWaalsContact O-CD2 3.29Å; K26-Y28 WeakPolarHBondContact O-CD2 3.45Å; K26-Y28 PolarHBondContact O-N 3.27Å | ||
| 27 | R | 43.1 | Very low | 60.8 | Low | 232 Ų | 232 | 125.7 Ų | 125.7 | 88% | 0.875 | 59% | 0.587 | S | S | * | * | trans | -67.9 | 83.7 | 172.3 | -75.7 | -172.1 | -79.5 | -167.9 | -3 | 102 | K25 L29 | K25-R27 VanDerWaalsContact C-N 3.28Å; K25-R27 PolarHBondContact O-N 2.77Å; R27-L29 PolarHBondContact O-N 3.26Å | ||
| 28 | Y | 43.2 | Very low | 63.5 | Low | 172 Ų | 172 | 122 Ų | 122 | 68% | 0.675 | 56% | 0.558 | S | S | * | * | trans | -42.9 | 121.1 | 154.6 | -67.3 | -82 | 0 | 0 | 0 | 102.9 | K26 R30 | K26-Y28 HydrophobicContact CB-CE2 4.48Å; K26-Y28 VanDerWaalsContact O-CD2 3.29Å; K26-Y28 WeakPolarHBondContact O-CD2 3.45Å; K26-Y28 PolarHBondContact O-N 3.27Å; Y28-R30 PolarHBondContact O-N 2.91Å | ||
| 29 | L | 54.9 | Low | 66 | Low | 156 Ų | 156 | 117.1 Ų | 117.1 | 82% | 0.817 | 52% | 0.523 | S | S | * | . | trans | -61.2 | 73.5 | 168.6 | -99 | 78.7 | 0 | 0 | 0 | 105.9 | R27 H31 | R27-L29 PolarHBondContact O-N 3.26Å; L29-H31 PolarHBondContact O-N 3.46Å; L29-H31 VanDerWaalsContact O-N 3.17Å | ||
| 30 | R | 64.1 | Low | 68.1 | Low | 129 Ų | 129 | 109.5 Ų | 109.5 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | trans | -66.5 | 114 | 164.7 | -70.6 | -69.2 | 170.4 | 175.3 | -12.5 | 102.4 | Y28 D32 E72 | Y28-R30 PolarHBondContact O-N 2.91Å; R30-D32 PolarHBondContact O-N 3.46Å; R30-E72 WeakPolarHBondContact CA-OE1 3.35Å; R30-E72 WeakPolarHBondContact CD-OE1 3.26Å; R30-E72 WeakPolarHBondContact CD-OE2 3.18Å; R30-E72 IonicContact CZ-OE2 3.6Å; R30-E72 IonicContact NE-OE2 3.79Å; R30-E72 IonicContact NH1-OE1 3.79Å; R30-E72 IonicContact NH1-OE2 2.66Å; R30-E72 PolarHBondContact NH1-OE2 3.45Å | ||
| 31 | H | 72.8 | Confident | 70.6 | Confident | 85 Ų | 85 | 104.3 Ų | 104.3 | 39% | 0.394 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 139.6 | 174.4 | -70 | -66 | 0 | 0 | 0 | 106.5 | L29 P68 F69 E72 | L29-H31 PolarHBondContact O-N 3.46Å; L29-H31 VanDerWaalsContact O-N 3.17Å; H31-P68 HydrophobicContact CB-CB 4.36Å; H31-F69 HydrophobicContact CB-CB 4.25Å; H31-F69 WeakPolarHBondContact O-CD2 3.49Å; H31-E72 PolarHBondContact N-OE1 3.04Å |
| 32 | D | 80.8 | Confident | 73 | Confident | 83 Ų | 83 | 98.6 Ų | 98.6 | 44% | 0.444 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -74 | 147 | -179.9 | -67.8 | -60.1 | 0 | 0 | 0 | 110 | R30 P34 L127 R130 | R30-D32 PolarHBondContact O-N 3.46Å; D32-P34 WeakPolarHBondContact O-CD 3.42Å; D32-L127 HydrophobicContact CB-CD1 3Å; D32-L127 HydrophobicContact CB-CG 4.42Å; D32-R130 IonicContact OD1-NH2 3.88Å; D32-R130 IonicContact OD2-CZ 3.71Å; D32-R130 IonicContact OD2-NH1 3.96Å; D32-R130 IonicContact OD2-NH2 2.66Å; D32-R130 PolarHBondContact OD2-NH2 3.44Å |
| 33 | K | 84.2 | Confident | 75.4 | Confident | 100 Ų | 100 | 90 Ų | 90 | 44% | 0.435 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 127.5 | 176.5 | -177 | 177.2 | 176.7 | -173.3 | 0 | 110.1 | F69 | K33-F69 HydrophobicContact CB-CD1 4.11Å; K33-F69 HydrophobicContact CB-CD2 4.29Å; K33-F69 HydrophobicContact CB-CE1 3.83Å; K33-F69 HydrophobicContact CB-CE2 3.97Å; K33-F69 HydrophobicContact CB-CG 4.32Å; K33-F69 HydrophobicContact CB-CZ 3.73Å; K33-F69 HydrophobicContact CD-CE1 4.18Å; K33-F69 HydrophobicContact CD-CZ 4.35Å; K33-F69 HydrophobicContact CG-CD1 4.02Å; K33-F69 HydrophobicContact CG-CE1 3.65Å; K33-F69 HydrophobicContact CG-CZ 4Å |
| 34 | P | 88 | Confident | 77.6 | Confident | 3 Ų | 3 | 78.9 Ų | 78.9 | 2% | 0.019 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 133.6 | 173.8 | -22.1 | 30.2 | 0 | 0 | 0 | 110.5 | D32 Y36 M41 F67 F69 F70 F140 | D32-P34 WeakPolarHBondContact O-CD 3.42Å; P34-Y36 HydrophobicContact CB-CD2 4.19Å; P34-Y36 PolarHBondContact O-N 3.34Å; P34-M41 HydrophobicContact CB-SD 4.18Å; P34-M41 HydrophobicContact CG-SD 4.41Å; P34-F67 HydrophobicContact CB-CD1 3.75Å; P34-F67 HydrophobicContact CB-CE1 4.13Å; P34-F67 HydrophobicContact CB-CG 4.37Å; P34-F67 HydrophobicContact CG-CB 3.7Å; P34-F67 HydrophobicContact CG-CD1 3.53Å; P34-F67 HydrophobicContact CG-CE1 4.4Å; P34-F67 HydrophobicContact CG-CG 3.8Å; P34-F69 HydrophobicContact CG-CB 4.34Å; P34-F70 HydrophobicContact CG-CE2 4.04Å; P34-F140 HydrophobicContact CB-CE1 4.48Å; P34-F140 HydrophobicContact CB-CE2 4.25Å; P34-F140 HydrophobicContact CB-CZ 3.99Å; P34-F140 HydrophobicContact CG-CZ 4.3Å |
| 35 | P | 90 | Very high | 79.6 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -81.1 | 48 | 178.2 | 37.4 | -39.6 | 0 | 0 | 0 | 111.9 | L122 Q123 T125 L127 C128 F140 | P35-L122 HydrophobicContact CB-CD1 4.02Å; P35-L122 HydrophobicContact CB-CG 4.19Å; P35-L122 HydrophobicContact CG-CD1 3.36Å; P35-L122 HydrophobicContact CG-CG 4Å; P35-Q123 PolarHBondContact O-N 2.95Å; P35-T125 HydrophobicContact CB-CG2 3.98Å; P35-L127 HydrophobicContact CB-CD2 4.49Å; P35-L127 HydrophobicContact CG-CD2 3.97Å; P35-C128 WeakPolarHBondContact CB-SG 3.09Å; P35-C128 WeakPolarHBondContact CG-SG 3.29Å; P35-F140 HydrophobicContact CG-CB 4.31Å; P35-F140 HydrophobicContact CG-CD2 3.5Å; P35-F140 VanDerWaalsContact CG-CD2 3.5Å; P35-F140 HydrophobicContact CG-CE2 4.22Å; P35-F140 HydrophobicContact CG-CG 4.19Å |
| 36 | Y | 92.9 | Very high | 82 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -124.4 | 149.5 | 174.3 | -61.8 | -62.6 | 0 | 0 | 0 | 109.4 | P34 F67 L122 F140 A141 L144 Y154 | P34-Y36 HydrophobicContact CB-CD2 4.19Å; P34-Y36 PolarHBondContact O-N 3.34Å; Y36-F67 AromaticContact CD2-CE1 3.79Å; Y36-F67 HydrophobicContact CD2-CE1 3.79Å; Y36-F67 HydrophobicContact CD2-CZ 4.06Å; Y36-F67 AromaticContact CE2-CE1 3.92Å; Y36-F67 HydrophobicContact CE2-CE1 3.92Å; Y36-F67 HydrophobicContact CE2-CZ 4.36Å; Y36-L122 HydrophobicContact CD1-CD1 4.16Å; Y36-L122 HydrophobicContact CE1-CD1 3.65Å; Y36-F140 HydrophobicContact CE2-CB 4Å; Y36-F140 AromaticContact CE2-CD1 3.61Å; Y36-F140 HydrophobicContact CE2-CD1 3.61Å; Y36-F140 HydrophobicContact CE2-CE1 4.29Å; Y36-F140 AromaticContact CE2-CG 3.87Å; Y36-F140 HydrophobicContact CE2-CG 3.87Å; Y36-F140 WeakPolarHBondContact OH-CB 3.31Å; Y36-A141 WeakPolarHBondContact CE1-O 3.45Å; Y36-A141 PolarHBondContact OH-N 3.29Å; Y36-A141 PolarHBondContact OH-O 2.75Å; Y36-L144 HydrophobicContact CD1-CD1 3.52Å; Y36-L144 HydrophobicContact CD1-CG 4.01Å; Y36-L144 HydrophobicContact CD2-CD1 4.14Å; Y36-L144 HydrophobicContact CE1-CD1 3.57Å; Y36-L144 HydrophobicContact CE1-CD2 4.09Å; Y36-L144 HydrophobicContact CE1-CG 3.56Å; Y36-L144 HydrophobicContact CE2-CD1 4.16Å; Y36-L144 HydrophobicContact CE2-CD2 4.5Å; Y36-L144 HydrophobicContact CG-CD1 3.8Å; Y36-Y154 PolarHBondContact OH-OH 3.38Å |
| 37 | T | 95.3 | Very high | 84.7 | Confident | 33 Ų | 33 | 51.2 Ų | 51.2 | 20% | 0.202 | 23% | 0.225 | C | C | . | . | trans | -64.2 | 153.1 | 170.4 | 62.6 | 0 | 0 | 0 | 0 | 110 | L39 A40 M41 A119 Q123 | T37-L39 PolarHBondContact O-N 3.35Å; T37-A40 PolarHBondContact O-N 3.46Å; T37-A40 VanDerWaalsContact OG1-CB 3.28Å; T37-A40 WeakPolarHBondContact OG1-CB 3.41Å; T37-A40 PolarHBondContact OG1-N 3.09Å; T37-M41 WeakPolarHBondContact O-CG 3.21Å; T37-M41 PolarHBondContact O-N 3.16Å; T37-A119 PolarHBondContact OG1-O 2.93Å; T37-Q123 HydrophobicContact CG2-CG 4.19Å; T37-Q123 VanDerWaalsContact CG2-NE2 3.29Å | ||
| 38 | Y | 96.7 | Very high | 87.1 | Confident | 43 Ų | 43 | 43.4 Ų | 43.4 | 17% | 0.169 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58 | -39.4 | 171.7 | -72.7 | -68 | 0 | 0 | 0 | 111.4 | A40 M41 I42 F70 W77 I81 | Y38-A40 PolarHBondContact O-N 3.23Å; Y38-M41 HydrophobicContact CD1-CE 3.56Å; Y38-M41 HydrophobicContact CE1-CE 4.02Å; Y38-M41 HydrophobicContact CG-CE 4.16Å; Y38-M41 PolarHBondContact O-N 2.96Å; Y38-I42 WeakPolarHBondContact O-CB 3.49Å; Y38-I42 WeakPolarHBondContact O-CD1 3.3Å; Y38-I42 WeakPolarHBondContact O-CG1 3.27Å; Y38-I42 PolarHBondContact O-N 3.25Å; Y38-F70 HydrophobicContact CE1-CE1 4.03Å; Y38-F70 HydrophobicContact CE1-CZ 4.11Å; Y38-W77 HydrophobicContact CE1-CB 4.41Å; Y38-I81 HydrophobicContact CD1-CD1 3.75Å; Y38-I81 HydrophobicContact CE1-CD1 4.4Å |
| 39 | L | 97.2 | Very high | 89.6 | Confident | 11 Ų | 11 | 35.7 Ų | 35.7 | 6% | 0.058 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -51.8 | -53.7 | 172.7 | -173.1 | 162.2 | 0 | 0 | 0 | 111.3 | T37 M41 I42 A43 N88 F91 I115 A119 | T37-L39 PolarHBondContact O-N 3.35Å; L39-M41 PolarHBondContact O-N 3.34Å; L39-I42 PolarHBondContact O-N 3.2Å; L39-A43 WeakPolarHBondContact O-CB 3.27Å; L39-A43 PolarHBondContact O-N 2.85Å; L39-N88 HydrophobicContact CD1-CB 4.14Å; L39-F91 HydrophobicContact CB-CE2 4.46Å; L39-F91 HydrophobicContact CG-CE2 4.03Å; L39-F91 HydrophobicContact CG-CZ 4.1Å; L39-I115 HydrophobicContact CD2-CG2 4.01Å; L39-A119 HydrophobicContact CD1-CB 4.25Å; L39-A119 HydrophobicContact CD2-CB 3.98Å |
| 40 | A | 96.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.4 | -43 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | T37 Y38 A43 L44 A119 L120 L144 | T37-A40 PolarHBondContact O-N 3.46Å; T37-A40 VanDerWaalsContact OG1-CB 3.28Å; T37-A40 WeakPolarHBondContact OG1-CB 3.41Å; T37-A40 PolarHBondContact OG1-N 3.09Å; Y38-A40 PolarHBondContact O-N 3.23Å; A40-A43 PolarHBondContact O-N 2.83Å; A40-L44 VanDerWaalsContact O-CB 3.26Å; A40-L44 WeakPolarHBondContact O-CB 3.5Å; A40-L44 PolarHBondContact O-N 2.96Å; A40-A119 WeakPolarHBondContact CB-O 3.47Å; A40-L120 HydrophobicContact CB-CD2 3.89Å; A40-L144 HydrophobicContact CB-CD1 3.98Å |
| 41 | M | 96.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.8 | -42.6 | 178 | -66.8 | -173.9 | -71.8 | 0 | 0 | 111.9 | P34 T37 Y38 L39 V45 F67 F70 | P34-M41 HydrophobicContact CB-SD 4.18Å; P34-M41 HydrophobicContact CG-SD 4.41Å; T37-M41 WeakPolarHBondContact O-CG 3.21Å; T37-M41 PolarHBondContact O-N 3.16Å; Y38-M41 HydrophobicContact CD1-CE 3.56Å; Y38-M41 HydrophobicContact CE1-CE 4.02Å; Y38-M41 HydrophobicContact CG-CE 4.16Å; Y38-M41 PolarHBondContact O-N 2.96Å; L39-M41 PolarHBondContact O-N 3.34Å; M41-V45 PolarHBondContact O-N 3.12Å; M41-F67 HydrophobicContact CB-CD2 4.45Å; M41-F67 HydrophobicContact CB-CE2 3.79Å; M41-F67 HydrophobicContact CB-CZ 4.41Å; M41-F67 HydrophobicContact CG-CD2 4.16Å; M41-F67 HydrophobicContact CG-CE2 3.52Å; M41-F67 HydrophobicContact CG-CZ 3.76Å; M41-F67 HydrophobicContact SD-CD2 3.88Å; M41-F67 HydrophobicContact SD-CE2 3.85Å; M41-F67 HydrophobicContact SD-CG 4.27Å; M41-F67 HydrophobicContact SD-CZ 4.22Å; M41-F70 HydrophobicContact CE-CE2 4.13Å; M41-F70 HydrophobicContact CE-CZ 3.82Å; M41-F70 HydrophobicContact SD-CE2 3.7Å; M41-F70 HydrophobicContact SD-CZ 4.01Å |
| 42 | I | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.9 | -47.1 | 177.7 | -66.3 | 163.6 | 0 | 0 | 0 | 110.4 | Y38 L39 L44 V45 I46 I59 I81 N84 L85 F91 | Y38-I42 WeakPolarHBondContact O-CB 3.49Å; Y38-I42 WeakPolarHBondContact O-CD1 3.3Å; Y38-I42 WeakPolarHBondContact O-CG1 3.27Å; Y38-I42 PolarHBondContact O-N 3.25Å; L39-I42 PolarHBondContact O-N 3.2Å; I42-L44 VanDerWaalsContact C-N 3.31Å; I42-L44 PolarHBondContact O-N 3.2Å; I42-V45 WeakPolarHBondContact O-CG2 3.49Å; I42-V45 PolarHBondContact O-N 3.28Å; I42-I46 HydrophobicContact CG2-CD1 3.71Å; I42-I46 HydrophobicContact CG2-CG1 4.35Å; I42-I46 WeakPolarHBondContact O-CG1 3.34Å; I42-I46 PolarHBondContact O-N 3.29Å; I42-I59 HydrophobicContact CG1-CG2 4.16Å; I42-I59 HydrophobicContact CG2-CG2 4.16Å; I42-I81 HydrophobicContact CD1-CD1 3.78Å; I42-I81 HydrophobicContact CD1-CG2 4.11Å; I42-I81 HydrophobicContact CG1-CD1 3.71Å; I42-I81 HydrophobicContact CG1-CG2 4.4Å; I42-N84 HydrophobicContact CD1-CB 3.83Å; I42-L85 HydrophobicContact CD1-CG 4.43Å; I42-L85 HydrophobicContact CG2-CD2 3.77Å; I42-F91 HydrophobicContact CB-CE1 4.16Å; I42-F91 HydrophobicContact CB-CE2 4.42Å; I42-F91 HydrophobicContact CB-CZ 3.74Å; I42-F91 HydrophobicContact CD1-CE2 4.46Å; I42-F91 HydrophobicContact CG2-CD1 4.17Å; I42-F91 HydrophobicContact CG2-CE1 3.51Å; I42-F91 HydrophobicContact CG2-CE2 4.22Å; I42-F91 HydrophobicContact CG2-CZ 3.54Å |
| 43 | A | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.4 | -44.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111 | L39 A40 V45 I46 Q47 F91 V110 I115 V148 | L39-A43 WeakPolarHBondContact O-CB 3.27Å; L39-A43 PolarHBondContact O-N 2.85Å; A40-A43 PolarHBondContact O-N 2.83Å; A43-V45 PolarHBondContact O-N 2.97Å; A43-I46 PolarHBondContact O-N 2.94Å; A43-Q47 WeakPolarHBondContact O-CB 3.17Å; A43-Q47 WeakPolarHBondContact O-CG 3.3Å; A43-Q47 PolarHBondContact O-N 2.94Å; A43-F91 HydrophobicContact CB-CE1 4.39Å; A43-F91 HydrophobicContact CB-CZ 4.5Å; A43-V110 HydrophobicContact CB-CG2 4.23Å; A43-I115 HydrophobicContact CB-CD1 4.07Å; A43-V148 HydrophobicContact CB-CG1 3.81Å; A43-V148 HydrophobicContact CB-CG2 4.46Å |
| 44 | L | 96.6 | Very high | 95.4 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57 | -48.7 | 176.5 | -176.8 | 67.6 | 0 | 0 | 0 | 112.7 | A40 I42 Q47 A48 V66 F67 L144 V148 Y154 | A40-L44 VanDerWaalsContact O-CB 3.26Å; A40-L44 WeakPolarHBondContact O-CB 3.5Å; A40-L44 PolarHBondContact O-N 2.96Å; I42-L44 VanDerWaalsContact C-N 3.31Å; I42-L44 PolarHBondContact O-N 3.2Å; L44-Q47 PolarHBondContact O-N 2.98Å; L44-A48 WeakPolarHBondContact O-CB 3.44Å; L44-A48 PolarHBondContact O-N 3.17Å; L44-V66 HydrophobicContact CD2-CG1 4.49Å; L44-F67 HydrophobicContact CD2-CZ 4.06Å; L44-L144 HydrophobicContact CD1-CD2 4.48Å; L44-L144 HydrophobicContact CD2-CD1 4.3Å; L44-L144 HydrophobicContact CD2-CD2 4.2Å; L44-V148 HydrophobicContact CB-CG2 4.14Å; L44-V148 HydrophobicContact CD1-CG2 4.11Å; L44-Y154 HydrophobicContact CD1-CD1 4.48Å; L44-Y154 HydrophobicContact CD1-CG 4.03Å; L44-Y154 HydrophobicContact CD2-CD1 3.62Å; L44-Y154 HydrophobicContact CD2-CD2 4.44Å; L44-Y154 HydrophobicContact CD2-CE1 3.83Å; L44-Y154 HydrophobicContact CD2-CG 3.93Å; L44-Y154 HydrophobicContact CG-CD1 4.46Å; L44-Y154 HydrophobicContact CG-CG 4.48Å |
| 45 | V | 97 | Very high | 95.8 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.7 | -33.4 | -177.7 | -62.1 | 0 | 0 | 0 | 0 | 113 | M41 I42 A43 A49 I59 Q62 V63 V66 | M41-V45 PolarHBondContact O-N 3.12Å; I42-V45 WeakPolarHBondContact O-CG2 3.49Å; I42-V45 PolarHBondContact O-N 3.28Å; A43-V45 PolarHBondContact O-N 2.97Å; V45-A49 PolarHBondContact O-N 3.46Å; V45-I59 HydrophobicContact CG2-CG2 4.11Å; V45-Q62 HydrophobicContact CB-CB 3.92Å; V45-Q62 HydrophobicContact CB-CG 3.67Å; V45-Q62 HydrophobicContact CG1-CB 4Å; V45-Q62 HydrophobicContact CG1-CG 3.69Å; V45-Q62 HydrophobicContact CG2-CB 4.48Å; V45-V63 HydrophobicContact CG1-CG2 4.15Å; V45-V63 HydrophobicContact CG2-CG2 4.1Å; V45-V66 HydrophobicContact CG1-CG2 4.18Å |
| 46 | I | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.8 | -42.7 | 175.3 | -67.5 | 175.2 | 0 | 0 | 0 | 110.2 | I42 A43 A48 A49 R52 L54 I59 F91 W108 V110 | I42-I46 HydrophobicContact CG2-CD1 3.71Å; I42-I46 HydrophobicContact CG2-CG1 4.35Å; I42-I46 WeakPolarHBondContact O-CG1 3.34Å; I42-I46 PolarHBondContact O-N 3.29Å; A43-I46 PolarHBondContact O-N 2.94Å; I46-A48 VanDerWaalsContact C-N 3.32Å; I46-A48 PolarHBondContact O-N 2.77Å; I46-A49 WeakPolarHBondContact O-CB 3.2Å; I46-A49 PolarHBondContact O-N 3.06Å; I46-A49 VanDerWaalsContact O-N 3.15Å; I46-R52 VanDerWaalsContact CG2-O 3.3Å; I46-R52 WeakPolarHBondContact CG2-O 3.42Å; I46-L54 HydrophobicContact CG1-CB 4.49Å; I46-L54 HydrophobicContact CG1-CD1 4.37Å; I46-I59 HydrophobicContact CD1-CD1 3.93Å; I46-I59 HydrophobicContact CG1-CD1 4.2Å; I46-I59 HydrophobicContact CG1-CG1 4.25Å; I46-F91 HydrophobicContact CD1-CD1 4.26Å; I46-F91 HydrophobicContact CD1-CE1 4.3Å; I46-W108 HydrophobicContact CD1-CB 4.37Å; I46-V110 HydrophobicContact CB-CG1 4.35Å; I46-V110 HydrophobicContact CG2-CB 4.32Å; I46-V110 HydrophobicContact CG2-CG1 3.9Å |
| 47 | Q | 95.9 | Very high | 96.3 | Very high | 16 Ų | 16 | 38.8 Ų | 38.8 | 8% | 0.075 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.7 | -29.7 | -179.8 | -69 | -68.4 | 79.8 | 0 | 0 | 113.2 | A43 L44 A49 R52 V110 V148 | A43-Q47 WeakPolarHBondContact O-CB 3.17Å; A43-Q47 WeakPolarHBondContact O-CG 3.3Å; A43-Q47 PolarHBondContact O-N 2.94Å; L44-Q47 PolarHBondContact O-N 2.98Å; Q47-A49 VanDerWaalsContact C-N 3.25Å; Q47-A49 PolarHBondContact O-N 3.08Å; Q47-R52 VanDerWaalsContact O-CD 3.27Å; Q47-R52 WeakPolarHBondContact O-CD 3.35Å; Q47-R52 PolarHBondContact O-NE 2.77Å; Q47-R52 VanDerWaalsContact O-NE 3.16Å; Q47-V110 HydrophobicContact CG-CG1 3.71Å; Q47-V110 VanDerWaalsContact OE1-CG1 3.31Å; Q47-V148 HydrophobicContact CG-CG1 4.05Å; Q47-V148 WeakPolarHBondContact CG-O 3.3Å; Q47-V148 PolarHBondContact NE2-O 3.19Å |
| 48 | A | 94.1 | Very high | 96.4 | Very high | 68 Ų | 68 | 40.3 Ų | 40.3 | 56% | 0.562 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -72.7 | -18 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L44 I46 | L44-A48 WeakPolarHBondContact O-CB 3.44Å; L44-A48 PolarHBondContact O-N 3.17Å; I46-A48 VanDerWaalsContact C-N 3.32Å; I46-A48 PolarHBondContact O-N 2.77Å |
| 49 | A | 94.4 | Very high | 96.5 | Very high | 9 Ų | 9 | 38.2 Ų | 38.2 | 7% | 0.074 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -73.9 | 138.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V45 I46 Q47 S51 R52 L54 | V45-A49 PolarHBondContact O-N 3.46Å; I46-A49 WeakPolarHBondContact O-CB 3.2Å; I46-A49 PolarHBondContact O-N 3.06Å; I46-A49 VanDerWaalsContact O-N 3.15Å; Q47-A49 VanDerWaalsContact C-N 3.25Å; Q47-A49 PolarHBondContact O-N 3.08Å; A49-S51 PolarHBondContact O-N 3.19Å; A49-R52 PolarHBondContact O-N 2.78Å; A49-L54 HydrophobicContact CB-CD1 4.14Å; A49-L54 HydrophobicContact CB-CD2 3.71Å; A49-L54 HydrophobicContact CB-CG 3.83Å |
| 50 | P | 93.8 | Very high | 96.5 | Very high | 137 Ų | 137 | 38.7 Ų | 38.7 | 89% | 0.89 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -33.8 | -177 | 22.5 | -32.6 | 0 | 0 | 0 | 112.5 | R52 | P50-R52 VanDerWaalsContact C-N 3.32Š|
| 51 | S | 94.5 | Very high | 96.4 | Very high | 66 Ų | 66 | 46.1 Ų | 46.1 | 46% | 0.462 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -1.4 | 178.2 | 58.1 | 0 | 0 | 0 | 0 | 114.2 | A49 R53 | A49-S51 PolarHBondContact O-N 3.19Å; S51-R53 WeakPolarHBondContact O-CG 3.33Å; S51-R53 PolarHBondContact O-N 3.12Å; S51-R53 PolarHBondContact OG-O 3.13Å |
| 52 | R | 95.7 | Very high | 96.4 | Very high | 107 Ų | 107 | 49.1 Ų | 49.1 | 40% | 0.404 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 50.6 | 23.2 | -173.4 | -57.4 | -62 | -171.8 | 118.1 | -2.3 | 114.5 | I46 Q47 A49 P50 | I46-R52 VanDerWaalsContact CG2-O 3.3Å; I46-R52 WeakPolarHBondContact CG2-O 3.42Å; Q47-R52 VanDerWaalsContact O-CD 3.27Å; Q47-R52 WeakPolarHBondContact O-CD 3.35Å; Q47-R52 PolarHBondContact O-NE 2.77Å; Q47-R52 VanDerWaalsContact O-NE 3.16Å; A49-R52 PolarHBondContact O-N 2.78Å; P50-R52 VanDerWaalsContact C-N 3.32Å |
| 53 | R | 96.8 | Very high | 96.3 | Very high | 102 Ų | 102 | 49.1 Ų | 49.1 | 39% | 0.385 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 139.1 | 179.6 | 70.2 | -173.2 | 173.5 | 158 | -3.4 | 111 | S51 F107 W108 A109 | S51-R53 WeakPolarHBondContact O-CG 3.33Å; S51-R53 PolarHBondContact O-N 3.12Å; S51-R53 PolarHBondContact OG-O 3.13Å; R53-F107 HydrophobicContact CB-CB 4.14Å; R53-F107 HydrophobicContact CG-CB 4.22Å; R53-F107 HydrophobicContact CG-CD1 4.09Å; R53-F107 HydrophobicContact CG-CG 4.21Å; R53-W108 CarbonylContact C-O 3.54Å; R53-W108 WeakPolarHBondContact CA-O 3.27Å; R53-A109 HydrophobicContact CB-CB 4.31Å |
| 54 | L | 97.6 | Very high | 96.1 | Very high | 18 Ų | 18 | 51.3 Ų | 51.3 | 9% | 0.094 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 149.7 | -177.7 | -70 | 179.7 | 0 | 0 | 0 | 111.5 | I46 A49 Q58 I59 W108 | I46-L54 HydrophobicContact CG1-CB 4.49Å; I46-L54 HydrophobicContact CG1-CD1 4.37Å; A49-L54 HydrophobicContact CB-CD1 4.14Å; A49-L54 HydrophobicContact CB-CD2 3.71Å; A49-L54 HydrophobicContact CB-CG 3.83Å; L54-Q58 HydrophobicContact CB-CB 4.13Å; L54-Q58 HydrophobicContact CD2-CB 4Å; L54-Q58 HydrophobicContact CG-CB 4.48Å; L54-I59 HydrophobicContact CB-CD1 4.31Å; L54-I59 HydrophobicContact CB-CG1 3.66Å; L54-I59 HydrophobicContact CD1-CG1 4.19Å; L54-W108 PolarHBondContact N-O 3.28Å; L54-W108 PolarHBondContact O-N 2.77Å |
| 55 | K | 97.4 | Very high | 95.9 | Very high | 79 Ų | 79 | 53 Ų | 53 | 34% | 0.343 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 155.1 | 167.3 | -64.2 | 176 | -178.1 | 169.6 | 0 | 109.7 | A57 Q58 I59 F107 | K55-A57 VanDerWaalsContact C-N 3.25Å; K55-A57 PolarHBondContact O-N 3.06Å; K55-A57 VanDerWaalsContact O-N 3.17Å; K55-Q58 HydrophobicContact CB-CG 4.38Å; K55-Q58 WeakPolarHBondContact O-CA 3.12Å; K55-Q58 WeakPolarHBondContact O-CB 3.4Å; K55-Q58 PolarHBondContact O-N 3.26Å; K55-I59 PolarHBondContact O-N 3.29Å; K55-F107 HydrophobicContact CD-CE1 4.44Å; K55-F107 HydrophobicContact CG-CD1 3.88Å; K55-F107 HydrophobicContact CG-CE1 3.88Å |
| 56 | L | 97.1 | Very high | 95.6 | Very high | 54 Ų | 54 | 53.4 Ų | 53.4 | 28% | 0.283 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -48.8 | -46.4 | 175.7 | 175.3 | 63.2 | 0 | 0 | 0 | 112.7 | Q58 I59 I60 I81 R82 L85 | L56-Q58 VanDerWaalsContact C-N 3.26Å; L56-Q58 PolarHBondContact O-N 3.2Å; L56-I59 PolarHBondContact O-N 3.26Å; L56-I60 HydrophobicContact CD1-CD1 4.12Å; L56-I60 HydrophobicContact CD1-CG1 4.38Å; L56-I60 HydrophobicContact CG-CD1 4.08Å; L56-I60 WeakPolarHBondContact O-CG1 3.49Å; L56-I60 PolarHBondContact O-N 2.93Å; L56-I81 HydrophobicContact CD1-CG2 4.03Å; L56-R82 HydrophobicContact CD1-CG 3.98Å; L56-R82 HydrophobicContact CD2-CG 3.78Å; L56-L85 HydrophobicContact CD1-CD1 3.65Å |
| 57 | A | 96.9 | Very high | 95.3 | Very high | 60 Ų | 60 | 53.4 Ų | 53.4 | 50% | 0.496 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.2 | -28.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K55 R61 | K55-A57 VanDerWaalsContact C-N 3.25Å; K55-A57 PolarHBondContact O-N 3.06Å; K55-A57 VanDerWaalsContact O-N 3.17Å; A57-R61 WeakPolarHBondContact O-CG 3.33Å; A57-R61 PolarHBondContact O-N 2.97Å; A57-R61 PolarHBondContact O-NE 3Å |
| 58 | Q | 97.3 | Very high | 94.9 | Very high | 65 Ų | 65 | 54.6 Ų | 54.6 | 30% | 0.304 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -76 | -41 | 173.8 | -69 | 170 | -57 | 0 | 0 | 111.1 | L54 K55 L56 I60 R61 Q62 | L54-Q58 HydrophobicContact CB-CB 4.13Å; L54-Q58 HydrophobicContact CD2-CB 4Å; L54-Q58 HydrophobicContact CG-CB 4.48Å; K55-Q58 HydrophobicContact CB-CG 4.38Å; K55-Q58 WeakPolarHBondContact O-CA 3.12Å; K55-Q58 WeakPolarHBondContact O-CB 3.4Å; K55-Q58 PolarHBondContact O-N 3.26Å; L56-Q58 VanDerWaalsContact C-N 3.26Å; L56-Q58 PolarHBondContact O-N 3.2Å; Q58-I60 PolarHBondContact O-N 3.25Å; Q58-R61 PolarHBondContact O-N 2.77Å; Q58-Q62 WeakPolarHBondContact O-CB 3.44Å; Q58-Q62 PolarHBondContact O-N 3.14Å |
| 59 | I | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.3 | -48.8 | 176.5 | -63.5 | 169.9 | 0 | 0 | 0 | 110.3 | I42 V45 I46 L54 K55 L56 R61 Q62 V63 I81 L85 W108 | I42-I59 HydrophobicContact CG1-CG2 4.16Å; I42-I59 HydrophobicContact CG2-CG2 4.16Å; V45-I59 HydrophobicContact CG2-CG2 4.11Å; I46-I59 HydrophobicContact CD1-CD1 3.93Å; I46-I59 HydrophobicContact CG1-CD1 4.2Å; I46-I59 HydrophobicContact CG1-CG1 4.25Å; L54-I59 HydrophobicContact CB-CD1 4.31Å; L54-I59 HydrophobicContact CB-CG1 3.66Å; L54-I59 HydrophobicContact CD1-CG1 4.19Å; K55-I59 PolarHBondContact O-N 3.29Å; L56-I59 PolarHBondContact O-N 3.26Å; I59-R61 PolarHBondContact O-N 2.82Å; I59-Q62 PolarHBondContact O-N 3.02Å; I59-V63 HydrophobicContact CG2-CG2 4.37Å; I59-V63 VanDerWaalsContact O-CG2 3.32Å; I59-V63 WeakPolarHBondContact O-CG2 3.47Å; I59-V63 PolarHBondContact O-N 3.15Å; I59-I81 HydrophobicContact CG2-CG2 4Å; I59-L85 HydrophobicContact CD1-CD1 4.06Å; I59-L85 HydrophobicContact CD1-CD2 4.08Å; I59-W108 HydrophobicContact CD1-CB 3.94Å; I59-W108 HydrophobicContact CD1-CG 4.34Å |
| 60 | I | 96.8 | Very high | 94.4 | Very high | 21 Ų | 21 | 53.6 Ų | 53.6 | 11% | 0.108 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.4 | -52 | 176.9 | -71 | 170.4 | 0 | 0 | 0 | 110.6 | L56 Q58 Q62 V63 Q64 W77 K78 I81 | L56-I60 HydrophobicContact CD1-CD1 4.12Å; L56-I60 HydrophobicContact CD1-CG1 4.38Å; L56-I60 HydrophobicContact CG-CD1 4.08Å; L56-I60 WeakPolarHBondContact O-CG1 3.49Å; L56-I60 PolarHBondContact O-N 2.93Å; Q58-I60 PolarHBondContact O-N 3.25Å; I60-Q62 PolarHBondContact O-N 3.47Å; I60-V63 PolarHBondContact O-N 3.41Å; I60-Q64 WeakPolarHBondContact O-CG 3.1Å; I60-Q64 PolarHBondContact O-N 3.27Å; I60-Q64 VanDerWaalsContact O-N 3.16Å; I60-W77 HydrophobicContact CB-CH2 4.28Å; I60-W77 HydrophobicContact CG2-CH2 3.54Å; I60-W77 HydrophobicContact CG2-CZ2 4.27Å; I60-W77 HydrophobicContact CG2-CZ3 4.23Å; I60-K78 HydrophobicContact CD1-CB 4.27Å; I60-K78 HydrophobicContact CD1-CD 4.32Å; I60-K78 HydrophobicContact CD1-CG 4.28Å; I60-K78 HydrophobicContact CG2-CD 4.12Å; I60-K78 HydrophobicContact CG2-CG 4.15Å; I60-I81 HydrophobicContact CG1-CG2 4.49Å |
| 61 | R | 96.3 | Very high | 94.2 | Very high | 155 Ų | 155 | 54.2 Ų | 54.2 | 59% | 0.585 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -62.3 | -41.5 | 179.9 | -73.5 | -175.4 | -67.6 | 171.4 | 1.6 | 112.6 | A57 Q58 I59 Q64 A65 | A57-R61 WeakPolarHBondContact O-CG 3.33Å; A57-R61 PolarHBondContact O-N 2.97Å; A57-R61 PolarHBondContact O-NE 3Å; Q58-R61 PolarHBondContact O-N 2.77Å; I59-R61 PolarHBondContact O-N 2.82Å; R61-Q64 PolarHBondContact O-N 3.45Å; R61-A65 PolarHBondContact O-N 3.46Å |
| 62 | Q | 95.3 | Very high | 93.7 | Very high | 63 Ų | 63 | 53.2 Ų | 53.2 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -70.6 | -37.5 | -177.6 | -160.5 | 63.2 | 23.4 | 0 | 0 | 111.8 | V45 Q58 I59 I60 Q64 A65 V66 | V45-Q62 HydrophobicContact CB-CB 3.92Å; V45-Q62 HydrophobicContact CB-CG 3.67Å; V45-Q62 HydrophobicContact CG1-CB 4Å; V45-Q62 HydrophobicContact CG1-CG 3.69Å; V45-Q62 HydrophobicContact CG2-CB 4.48Å; Q58-Q62 WeakPolarHBondContact O-CB 3.44Å; Q58-Q62 PolarHBondContact O-N 3.14Å; I59-Q62 PolarHBondContact O-N 3.02Å; I60-Q62 PolarHBondContact O-N 3.47Å; Q62-Q64 VanDerWaalsContact C-N 3.32Å; Q62-Q64 PolarHBondContact O-N 2.95Å; Q62-A65 WeakPolarHBondContact O-CB 3.34Å; Q62-A65 PolarHBondContact O-N 3.47Å; Q62-V66 HydrophobicContact CG-CG2 4.45Å; Q62-V66 WeakPolarHBondContact O-CB 3.38Å; Q62-V66 VanDerWaalsContact O-CG2 3.29Å; Q62-V66 WeakPolarHBondContact O-CG2 3.43Å; Q62-V66 PolarHBondContact O-N 2.93Å |
| 63 | V | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 172.8 | 169.8 | 0 | 0 | 0 | 0 | 110.5 | V45 I59 I60 A65 V66 F67 F70 W77 I81 | V45-V63 HydrophobicContact CG1-CG2 4.15Å; V45-V63 HydrophobicContact CG2-CG2 4.1Å; I59-V63 HydrophobicContact CG2-CG2 4.37Å; I59-V63 VanDerWaalsContact O-CG2 3.32Å; I59-V63 WeakPolarHBondContact O-CG2 3.47Å; I59-V63 PolarHBondContact O-N 3.15Å; I60-V63 PolarHBondContact O-N 3.41Å; V63-A65 VanDerWaalsContact C-N 3.33Å; V63-A65 PolarHBondContact O-N 2.97Å; V63-V66 PolarHBondContact O-N 3.39Å; V63-F67 HydrophobicContact CG1-CD2 4.23Å; V63-F67 WeakPolarHBondContact O-CB 3.5Å; V63-F67 PolarHBondContact O-N 3.02Å; V63-F70 HydrophobicContact CG1-CD2 3.53Å; V63-F70 HydrophobicContact CG1-CE2 3.8Å; V63-F70 HydrophobicContact CG1-CG 4.13Å; V63-W77 HydrophobicContact CG1-CZ3 4.23Å; V63-I81 HydrophobicContact CG2-CD1 4.49Å |
| 64 | Q | 94 | Very high | 92.7 | Very high | 46 Ų | 46 | 58.2 Ų | 58.2 | 22% | 0.215 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.8 | -35.4 | 174.7 | -65.7 | 178.5 | -59.5 | 0 | 0 | 113.1 | I60 R61 Q62 F70 R71 W77 | I60-Q64 WeakPolarHBondContact O-CG 3.1Å; I60-Q64 PolarHBondContact O-N 3.27Å; I60-Q64 VanDerWaalsContact O-N 3.16Å; R61-Q64 PolarHBondContact O-N 3.45Å; Q62-Q64 VanDerWaalsContact C-N 3.32Å; Q62-Q64 PolarHBondContact O-N 2.95Å; Q64-F70 HydrophobicContact CG-CB 3.94Å; Q64-F70 WeakPolarHBondContact CG-O 3.36Å; Q64-F70 PolarHBondContact NE2-O 2.99Å; Q64-R71 HydrophobicContact CB-CG 4.27Å; Q64-R71 WeakPolarHBondContact O-CG 3.37Å; Q64-R71 PolarHBondContact O-NE 3.35Å; Q64-W77 HydrophobicContact CG-CH2 3.54Å; Q64-W77 HydrophobicContact CG-CZ2 3.61Å |
| 65 | A | 91.9 | Very high | 92.4 | Very high | 44 Ų | 44 | 63 Ų | 63 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.6 | -46.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | R61 Q62 V63 R71 | R61-A65 PolarHBondContact O-N 3.46Å; Q62-A65 WeakPolarHBondContact O-CB 3.34Å; Q62-A65 PolarHBondContact O-N 3.47Å; V63-A65 VanDerWaalsContact C-N 3.33Å; V63-A65 PolarHBondContact O-N 2.97Å; A65-R71 PolarHBondContact O-NH2 2.84Å |
| 66 | V | 91.3 | Very high | 92.2 | Very high | 11 Ų | 11 | 60.7 Ų | 60.7 | 7% | 0.067 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -75.2 | -35.8 | -177.2 | 175.7 | 0 | 0 | 0 | 0 | 112.1 | L44 V45 Q62 V63 Y154 P156 | L44-V66 HydrophobicContact CD2-CG1 4.49Å; V45-V66 HydrophobicContact CG1-CG2 4.18Å; Q62-V66 HydrophobicContact CG-CG2 4.45Å; Q62-V66 WeakPolarHBondContact O-CB 3.38Å; Q62-V66 VanDerWaalsContact O-CG2 3.29Å; Q62-V66 WeakPolarHBondContact O-CG2 3.43Å; Q62-V66 PolarHBondContact O-N 2.93Å; V63-V66 PolarHBondContact O-N 3.39Å; V66-Y154 HydrophobicContact CG1-CD1 4.3Å; V66-Y154 HydrophobicContact CG1-CE1 4.02Å; V66-P156 HydrophobicContact CG1-CG 3.88Å |
| 67 | F | 91 | Very high | 92.1 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | trans | -124.4 | 98.7 | -173.5 | -59 | -70.6 | 0 | 0 | 0 | 111 | P34 Y36 M41 L44 V63 F69 F70 F140 | P34-F67 HydrophobicContact CB-CD1 3.75Å; P34-F67 HydrophobicContact CB-CE1 4.13Å; P34-F67 HydrophobicContact CB-CG 4.37Å; P34-F67 HydrophobicContact CG-CB 3.7Å; P34-F67 HydrophobicContact CG-CD1 3.53Å; P34-F67 HydrophobicContact CG-CE1 4.4Å; P34-F67 HydrophobicContact CG-CG 3.8Å; Y36-F67 AromaticContact CD2-CE1 3.79Å; Y36-F67 HydrophobicContact CD2-CE1 3.79Å; Y36-F67 HydrophobicContact CD2-CZ 4.06Å; Y36-F67 AromaticContact CE2-CE1 3.92Å; Y36-F67 HydrophobicContact CE2-CE1 3.92Å; Y36-F67 HydrophobicContact CE2-CZ 4.36Å; M41-F67 HydrophobicContact CB-CD2 4.45Å; M41-F67 HydrophobicContact CB-CE2 3.79Å; M41-F67 HydrophobicContact CB-CZ 4.41Å; M41-F67 HydrophobicContact CG-CD2 4.16Å; M41-F67 HydrophobicContact CG-CE2 3.52Å; M41-F67 HydrophobicContact CG-CZ 3.76Å; M41-F67 HydrophobicContact SD-CD2 3.88Å; M41-F67 HydrophobicContact SD-CE2 3.85Å; M41-F67 HydrophobicContact SD-CG 4.27Å; M41-F67 HydrophobicContact SD-CZ 4.22Å; L44-F67 HydrophobicContact CD2-CZ 4.06Å; V63-F67 HydrophobicContact CG1-CD2 4.23Å; V63-F67 WeakPolarHBondContact O-CB 3.5Å; V63-F67 PolarHBondContact O-N 3.02Å; F67-F69 PolarHBondContact O-N 3.41Å; F67-F70 HydrophobicContact CB-CD2 3.68Å; F67-F70 HydrophobicContact CB-CE2 3.87Å; F67-F70 HydrophobicContact CG-CE2 4.4Å; F67-F70 PolarHBondContact O-N 3.45Å; F67-F70 VanDerWaalsContact O-N 3.14Å; F67-F140 HydrophobicContact CD1-CE1 4.12Å; F67-F140 HydrophobicContact CE1-CE1 4.14Å | ||
| 68 | P | 88.6 | Confident | 92.1 | Very high | 40 Ų | 40 | 57.4 Ų | 57.4 | 26% | 0.26 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -57 | -24.2 | -174.6 | -29.6 | 36.8 | 0 | 0 | 0 | 115.8 | H31 F70 R71 | H31-P68 HydrophobicContact CB-CB 4.36Å; P68-F70 PolarHBondContact O-N 3.29Å; P68-F70 VanDerWaalsContact O-N 3.16Å; P68-R71 WeakPolarHBondContact O-CB 3.36Å; P68-R71 PolarHBondContact O-N 3.18Å; P68-R71 VanDerWaalsContact O-N 3.08Å |
| 69 | F | 87.4 | Confident | 92 | Very high | 54 Ų | 54 | 58.6 Ų | 58.6 | 24% | 0.237 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -50.4 | -35.8 | 173.6 | 174 | -111.6 | 0 | 0 | 0 | 114 | H31 K33 P34 F67 R71 | H31-F69 HydrophobicContact CB-CB 4.25Å; H31-F69 WeakPolarHBondContact O-CD2 3.49Å; K33-F69 HydrophobicContact CB-CD1 4.11Å; K33-F69 HydrophobicContact CB-CD2 4.29Å; K33-F69 HydrophobicContact CB-CE1 3.83Å; K33-F69 HydrophobicContact CB-CE2 3.97Å; K33-F69 HydrophobicContact CB-CG 4.32Å; K33-F69 HydrophobicContact CB-CZ 3.73Å; K33-F69 HydrophobicContact CD-CE1 4.18Å; K33-F69 HydrophobicContact CD-CZ 4.35Å; K33-F69 HydrophobicContact CG-CD1 4.02Å; K33-F69 HydrophobicContact CG-CE1 3.65Å; K33-F69 HydrophobicContact CG-CZ 4Å; P34-F69 HydrophobicContact CG-CB 4.34Å; F67-F69 PolarHBondContact O-N 3.41Å; F69-R71 VanDerWaalsContact C-N 3.31Å; F69-R71 PolarHBondContact O-N 2.94Å |
| 70 | F | 90.3 | Very high | 92 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.009 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -87.2 | 3.1 | -175.9 | -58.4 | -72.1 | 0 | 0 | 0 | 114 | P34 Y38 M41 V63 Q64 F67 P68 E72 W77 | P34-F70 HydrophobicContact CG-CE2 4.04Å; Y38-F70 HydrophobicContact CE1-CE1 4.03Å; Y38-F70 HydrophobicContact CE1-CZ 4.11Å; M41-F70 HydrophobicContact CE-CE2 4.13Å; M41-F70 HydrophobicContact CE-CZ 3.82Å; M41-F70 HydrophobicContact SD-CE2 3.7Å; M41-F70 HydrophobicContact SD-CZ 4.01Å; V63-F70 HydrophobicContact CG1-CD2 3.53Å; V63-F70 HydrophobicContact CG1-CE2 3.8Å; V63-F70 HydrophobicContact CG1-CG 4.13Å; Q64-F70 HydrophobicContact CG-CB 3.94Å; Q64-F70 WeakPolarHBondContact CG-O 3.36Å; Q64-F70 PolarHBondContact NE2-O 2.99Å; F67-F70 HydrophobicContact CB-CD2 3.68Å; F67-F70 HydrophobicContact CB-CE2 3.87Å; F67-F70 HydrophobicContact CG-CE2 4.4Å; F67-F70 PolarHBondContact O-N 3.45Å; F67-F70 VanDerWaalsContact O-N 3.14Å; P68-F70 PolarHBondContact O-N 3.29Å; P68-F70 VanDerWaalsContact O-N 3.16Å; F70-E72 VanDerWaalsContact C-N 3.26Å; F70-W77 HydrophobicContact CB-CD2 4.2Å; F70-W77 HydrophobicContact CB-CH2 4.22Å; F70-W77 HydrophobicContact CB-CZ2 3.89Å; F70-W77 HydrophobicContact CD1-CB 3.97Å; F70-W77 AromaticContact CD1-CD1 3.93Å; F70-W77 AromaticContact CD1-CD2 3.55Å; F70-W77 HydrophobicContact CD1-CD2 3.55Å; F70-W77 AromaticContact CD1-CE3 3.93Å; F70-W77 HydrophobicContact CD1-CE3 3.93Å; F70-W77 AromaticContact CD1-CG 3.54Å; F70-W77 HydrophobicContact CD1-CG 3.54Å; F70-W77 HydrophobicContact CE1-CB 3.99Å; F70-W77 HydrophobicContact CE1-CD2 4.28Å; F70-W77 HydrophobicContact CE1-CE3 4.44Å; F70-W77 HydrophobicContact CE1-CG 4.08Å; F70-W77 HydrophobicContact CG-CD2 4.17Å; F70-W77 HydrophobicContact CG-CE3 4.35Å |
| 71 | R | 89.1 | Confident | 92 | Very high | 151 Ų | 151 | 59.4 Ų | 59.4 | 57% | 0.57 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -80 | -10 | 177.4 | -62.8 | -179.9 | -176.7 | -179.9 | -0.7 | 113.2 | Q64 A65 P68 F69 | Q64-R71 HydrophobicContact CB-CG 4.27Å; Q64-R71 WeakPolarHBondContact O-CG 3.37Å; Q64-R71 PolarHBondContact O-NE 3.35Å; A65-R71 PolarHBondContact O-NH2 2.84Å; P68-R71 WeakPolarHBondContact O-CB 3.36Å; P68-R71 PolarHBondContact O-N 3.18Å; P68-R71 VanDerWaalsContact O-N 3.08Å; F69-R71 VanDerWaalsContact C-N 3.31Å; F69-R71 PolarHBondContact O-N 2.94Å |
| 72 | E | 83.5 | Confident | 92.1 | Very high | 44 Ų | 44 | 57.4 Ų | 57.4 | 21% | 0.206 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -71.6 | 162.3 | -179 | -61.2 | -179.7 | 179.8 | 0 | 0 | 112.2 | R30 H31 F70 Y74 | R30-E72 WeakPolarHBondContact CA-OE1 3.35Å; R30-E72 WeakPolarHBondContact CD-OE1 3.26Å; R30-E72 WeakPolarHBondContact CD-OE2 3.18Å; R30-E72 IonicContact CZ-OE2 3.6Å; R30-E72 IonicContact NE-OE2 3.79Å; R30-E72 IonicContact NH1-OE1 3.79Å; R30-E72 IonicContact NH1-OE2 2.66Å; R30-E72 PolarHBondContact NH1-OE2 3.45Å; H31-E72 PolarHBondContact N-OE1 3.04Å; F70-E72 VanDerWaalsContact C-N 3.26Å; E72-Y74 PolarHBondContact O-N 3.02Å |
| 73 | D | 84.4 | Confident | 92.2 | Very high | 148 Ų | 148 | 59.5 Ų | 59.5 | 79% | 0.791 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -61.9 | -16.5 | -174.9 | -50.6 | -47.5 | 0 | 0 | 0 | 114.3 | E75 | D73-E75 PolarHBondContact O-N 3.19Š|
| 74 | Y | 88.2 | Confident | 92.3 | Very high | 166 Ų | 166 | 60.7 Ų | 60.7 | 65% | 0.651 | 30% | 0.297 | S | S | * | . | trans | -75 | 117.6 | 179 | 177.5 | -109.4 | 0 | 0 | 0 | 111.2 | E72 W77 | E72-Y74 PolarHBondContact O-N 3.02Å; Y74-W77 PolarHBondContact O-NE1 2.78Å | ||
| 75 | E | 91.6 | Very high | 92.5 | Very high | 120 Ų | 120 | 58.6 Ų | 58.6 | 56% | 0.561 | 29% | 0.287 | S | S | * | . | trans | -101.3 | -2.3 | -176.6 | -55.1 | -149.4 | 142.4 | 0 | 0 | 115.2 | D73 W77 K78 | D73-E75 PolarHBondContact O-N 3.19Å; E75-W77 PolarHBondContact O-N 3.44Å; E75-W77 VanDerWaalsContact O-N 3.1Å; E75-K78 HydrophobicContact CB-CD 4.13Å; E75-K78 VanDerWaalsContact O-CB 3.3Å; E75-K78 WeakPolarHBondContact O-CB 3.4Å; E75-K78 WeakPolarHBondContact O-CG 3.28Å; E75-K78 PolarHBondContact O-N 2.91Å; E75-K78 IonicContact OE1-NZ 2.6Å; E75-K78 PolarHBondContact OE1-NZ 2.87Å; E75-K78 IonicContact OE2-NZ 2.78Å; E75-K78 PolarHBondContact OE2-NZ 3.1Å | ||
| 76 | G | 92.9 | Very high | 92.7 | Very high | 29 Ų | 29 | 60.7 Ų | 60.7 | 30% | 0.299 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -25.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K78 D79 | G76-K78 PolarHBondContact O-N 3.19Å; G76-D79 WeakPolarHBondContact O-CB 3.34Å; G76-D79 PolarHBondContact O-N 3.29Å; G76-D79 VanDerWaalsContact O-N 3.13Å |
| 77 | W | 94.4 | Very high | 93 | Very high | 10 Ų | 10 | 63.3 Ų | 63.3 | 4% | 0.038 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.3 | -24.5 | 174.1 | 65.1 | -92.9 | 0 | 0 | 0 | 113.5 | Y38 I60 V63 Q64 F70 Y74 E75 D79 S80 I81 | Y38-W77 HydrophobicContact CE1-CB 4.41Å; I60-W77 HydrophobicContact CB-CH2 4.28Å; I60-W77 HydrophobicContact CG2-CH2 3.54Å; I60-W77 HydrophobicContact CG2-CZ2 4.27Å; I60-W77 HydrophobicContact CG2-CZ3 4.23Å; V63-W77 HydrophobicContact CG1-CZ3 4.23Å; Q64-W77 HydrophobicContact CG-CH2 3.54Å; Q64-W77 HydrophobicContact CG-CZ2 3.61Å; F70-W77 HydrophobicContact CB-CD2 4.2Å; F70-W77 HydrophobicContact CB-CH2 4.22Å; F70-W77 HydrophobicContact CB-CZ2 3.89Å; F70-W77 HydrophobicContact CD1-CB 3.97Å; F70-W77 AromaticContact CD1-CD1 3.93Å; F70-W77 AromaticContact CD1-CD2 3.55Å; F70-W77 HydrophobicContact CD1-CD2 3.55Å; F70-W77 AromaticContact CD1-CE3 3.93Å; F70-W77 HydrophobicContact CD1-CE3 3.93Å; F70-W77 AromaticContact CD1-CG 3.54Å; F70-W77 HydrophobicContact CD1-CG 3.54Å; F70-W77 HydrophobicContact CE1-CB 3.99Å; F70-W77 HydrophobicContact CE1-CD2 4.28Å; F70-W77 HydrophobicContact CE1-CE3 4.44Å; F70-W77 HydrophobicContact CE1-CG 4.08Å; F70-W77 HydrophobicContact CG-CD2 4.17Å; F70-W77 HydrophobicContact CG-CE3 4.35Å; Y74-W77 PolarHBondContact O-NE1 2.78Å; E75-W77 PolarHBondContact O-N 3.44Å; E75-W77 VanDerWaalsContact O-N 3.1Å; W77-D79 PolarHBondContact O-N 3.31Å; W77-S80 WeakPolarHBondContact O-CB 3.38Å; W77-S80 PolarHBondContact O-N 2.87Å; W77-S80 VanDerWaalsContact O-N 3.12Å; W77-I81 HydrophobicContact CE3-CG1 3.79Å; W77-I81 HydrophobicContact CZ3-CG1 3.89Å; W77-I81 PolarHBondContact O-N 3.48Å |
| 78 | K | 96.1 | Very high | 93.3 | Very high | 36 Ų | 36 | 65.5 Ų | 65.5 | 16% | 0.157 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.8 | -29.6 | 176.1 | -62.5 | -178.9 | -173.2 | 175.8 | 0 | 111.3 | I60 E75 G76 I81 R82 | I60-K78 HydrophobicContact CD1-CB 4.27Å; I60-K78 HydrophobicContact CD1-CD 4.32Å; I60-K78 HydrophobicContact CD1-CG 4.28Å; I60-K78 HydrophobicContact CG2-CD 4.12Å; I60-K78 HydrophobicContact CG2-CG 4.15Å; E75-K78 HydrophobicContact CB-CD 4.13Å; E75-K78 VanDerWaalsContact O-CB 3.3Å; E75-K78 WeakPolarHBondContact O-CB 3.4Å; E75-K78 WeakPolarHBondContact O-CG 3.28Å; E75-K78 PolarHBondContact O-N 2.91Å; E75-K78 IonicContact OE1-NZ 2.6Å; E75-K78 PolarHBondContact OE1-NZ 2.87Å; E75-K78 IonicContact OE2-NZ 2.78Å; E75-K78 PolarHBondContact OE2-NZ 3.1Å; G76-K78 PolarHBondContact O-N 3.19Å; K78-I81 PolarHBondContact O-N 3.17Å; K78-R82 PolarHBondContact O-N 3.03Å |
| 79 | D | 96.4 | Very high | 93.6 | Very high | 89 Ų | 89 | 74.5 Ų | 74.5 | 48% | 0.476 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -71.2 | -40.9 | 174.4 | -162.8 | 54.5 | 0 | 0 | 0 | 111.9 | G76 W77 I81 R82 H83 | G76-D79 WeakPolarHBondContact O-CB 3.34Å; G76-D79 PolarHBondContact O-N 3.29Å; G76-D79 VanDerWaalsContact O-N 3.13Å; W77-D79 PolarHBondContact O-N 3.31Å; D79-I81 PolarHBondContact O-N 3.02Å; D79-R82 VanDerWaalsContact CB-NH2 3.29Å; D79-R82 WeakPolarHBondContact O-CB 3.39Å; D79-R82 PolarHBondContact O-N 2.85Å; D79-R82 IonicContact OD1-CZ 3.29Å; D79-R82 VanDerWaalsContact OD1-CZ 3.29Å; D79-R82 IonicContact OD1-NE 3.15Å; D79-R82 PolarHBondContact OD1-NE 2.87Å; D79-R82 VanDerWaalsContact OD1-NE 3.15Å; D79-R82 IonicContact OD1-NH2 2.7Å; D79-R82 PolarHBondContact OD1-NH2 3.26Å; D79-H83 WeakPolarHBondContact O-CB 3.44Å; D79-H83 PolarHBondContact O-N 3.15Å |
| 80 | S | 97.2 | Very high | 94.1 | Very high | 39 Ų | 39 | 72 Ų | 72 | 27% | 0.273 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.2 | -37.1 | 171.5 | -50.2 | 0 | 0 | 0 | 0 | 111.9 | W77 N84 | W77-S80 WeakPolarHBondContact O-CB 3.38Å; W77-S80 PolarHBondContact O-N 2.87Å; W77-S80 VanDerWaalsContact O-N 3.12Å; S80-N84 WeakPolarHBondContact O-CB 3.46Å; S80-N84 PolarHBondContact O-N 3.34Å; S80-N84 PolarHBondContact O-ND2 3.34Å |
| 81 | I | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.5 | -47.5 | 173.2 | -62.4 | -65.9 | 0 | 0 | 0 | 111.3 | Y38 I42 L56 I59 I60 V63 W77 K78 D79 N84 L85 | Y38-I81 HydrophobicContact CD1-CD1 3.75Å; Y38-I81 HydrophobicContact CE1-CD1 4.4Å; I42-I81 HydrophobicContact CD1-CD1 3.78Å; I42-I81 HydrophobicContact CD1-CG2 4.11Å; I42-I81 HydrophobicContact CG1-CD1 3.71Å; I42-I81 HydrophobicContact CG1-CG2 4.4Å; L56-I81 HydrophobicContact CD1-CG2 4.03Å; I59-I81 HydrophobicContact CG2-CG2 4Å; I60-I81 HydrophobicContact CG1-CG2 4.49Å; V63-I81 HydrophobicContact CG2-CD1 4.49Å; W77-I81 HydrophobicContact CE3-CG1 3.79Å; W77-I81 HydrophobicContact CZ3-CG1 3.89Å; W77-I81 PolarHBondContact O-N 3.48Å; K78-I81 PolarHBondContact O-N 3.17Å; D79-I81 PolarHBondContact O-N 3.02Å; I81-N84 PolarHBondContact O-N 3.23Å; I81-L85 HydrophobicContact CG2-CD1 4.09Å; I81-L85 WeakPolarHBondContact O-CG 3.27Å; I81-L85 PolarHBondContact O-N 3.21Å; I81-L85 VanDerWaalsContact O-N 3.1Å |
| 82 | R | 97.4 | Very high | 94.8 | Very high | 112 Ų | 112 | 71.9 Ų | 71.9 | 42% | 0.423 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.3 | -49.2 | 178.7 | -71 | -175.3 | -64.6 | -97.5 | 11.1 | 111.7 | L56 K78 D79 N84 L85 S86 | L56-R82 HydrophobicContact CD1-CG 3.98Å; L56-R82 HydrophobicContact CD2-CG 3.78Å; K78-R82 PolarHBondContact O-N 3.03Å; D79-R82 VanDerWaalsContact CB-NH2 3.29Å; D79-R82 WeakPolarHBondContact O-CB 3.39Å; D79-R82 PolarHBondContact O-N 2.85Å; D79-R82 IonicContact OD1-CZ 3.29Å; D79-R82 VanDerWaalsContact OD1-CZ 3.29Å; D79-R82 IonicContact OD1-NE 3.15Å; D79-R82 PolarHBondContact OD1-NE 2.87Å; D79-R82 VanDerWaalsContact OD1-NE 3.15Å; D79-R82 IonicContact OD1-NH2 2.7Å; D79-R82 PolarHBondContact OD1-NH2 3.26Å; R82-N84 PolarHBondContact O-N 3.27Å; R82-L85 PolarHBondContact O-N 3.34Å; R82-S86 PolarHBondContact O-N 3.49Å; R82-S86 PolarHBondContact O-OG 3.16Å |
| 83 | H | 97.6 | Very high | 95.4 | Very high | 108 Ų | 108 | 74.4 Ų | 74.4 | 50% | 0.5 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -56.3 | -48.3 | 176.7 | 169.4 | 72.5 | 0 | 0 | 0 | 111.5 | D79 L85 S86 S87 | D79-H83 WeakPolarHBondContact O-CB 3.44Å; D79-H83 PolarHBondContact O-N 3.15Å; H83-L85 VanDerWaalsContact C-N 3.32Å; H83-L85 PolarHBondContact O-N 3.19Å; H83-S86 PolarHBondContact O-N 2.9Å; H83-S86 VanDerWaalsContact O-N 3.15Å; H83-S86 PolarHBondContact O-OG 3.15Å; H83-S87 PolarHBondContact CE1-OG 2.94Å; H83-S87 PolarHBondContact ND1-OG 3.41Å; H83-S87 VanDerWaalsContact O-CB 3.27Å; H83-S87 WeakPolarHBondContact O-CB 3.13Å; H83-S87 PolarHBondContact O-N 2.88Å; H83-S87 PolarHBondContact O-OG 3.07Å |
| 84 | N | 97.9 | Very high | 96 | Very high | 25 Ų | 25 | 68.4 Ų | 68.4 | 13% | 0.134 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.3 | -37.9 | -179.1 | -87.7 | -95.4 | 0 | 0 | 0 | 113 | I42 S80 I81 R82 S86 N88 F91 | I42-N84 HydrophobicContact CD1-CB 3.83Å; S80-N84 WeakPolarHBondContact O-CB 3.46Å; S80-N84 PolarHBondContact O-N 3.34Å; S80-N84 PolarHBondContact O-ND2 3.34Å; I81-N84 PolarHBondContact O-N 3.23Å; R82-N84 PolarHBondContact O-N 3.27Å; N84-S86 VanDerWaalsContact C-N 3.31Å; N84-S86 PolarHBondContact O-N 3.48Å; N84-N88 PolarHBondContact O-N 3.25Å; N84-N88 PolarHBondContact O-ND2 2.98Å; N84-N88 PolarHBondContact OD1-ND2 3.28Å; N84-F91 WeakPolarHBondContact O-CD2 3.49Å |
| 85 | L | 97.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.3 | -35.5 | 177.3 | -72.4 | 168.3 | 0 | 0 | 0 | 112.3 | I42 L56 I59 I81 R82 H83 F91 W108 | I42-L85 HydrophobicContact CD1-CG 4.43Å; I42-L85 HydrophobicContact CG2-CD2 3.77Å; L56-L85 HydrophobicContact CD1-CD1 3.65Å; I59-L85 HydrophobicContact CD1-CD1 4.06Å; I59-L85 HydrophobicContact CD1-CD2 4.08Å; I81-L85 HydrophobicContact CG2-CD1 4.09Å; I81-L85 WeakPolarHBondContact O-CG 3.27Å; I81-L85 PolarHBondContact O-N 3.21Å; I81-L85 VanDerWaalsContact O-N 3.1Å; R82-L85 PolarHBondContact O-N 3.34Å; H83-L85 VanDerWaalsContact C-N 3.32Å; H83-L85 PolarHBondContact O-N 3.19Å; L85-F91 HydrophobicContact CD2-CB 4.11Å; L85-F91 HydrophobicContact CD2-CD1 4.18Å; L85-F91 HydrophobicContact CD2-CD2 4.17Å; L85-F91 HydrophobicContact CD2-CG 3.88Å; L85-W108 HydrophobicContact CB-CD2 4.14Å; L85-W108 HydrophobicContact CB-CE3 4.13Å; L85-W108 HydrophobicContact CB-CH2 3.98Å; L85-W108 HydrophobicContact CB-CZ2 4.01Å; L85-W108 HydrophobicContact CB-CZ3 4.05Å; L85-W108 HydrophobicContact CD1-CD2 4.28Å; L85-W108 HydrophobicContact CD1-CG 4.25Å; L85-W108 HydrophobicContact CD2-CB 4.18Å; L85-W108 HydrophobicContact CD2-CD2 3.95Å; L85-W108 HydrophobicContact CD2-CE3 4.07Å; L85-W108 HydrophobicContact CD2-CG 4.01Å; L85-W108 HydrophobicContact CG-CD2 4.36Å; L85-W108 WeakPolarHBondContact O-CH2 3.35Å; L85-W108 WeakPolarHBondContact O-CZ3 3.46Å |
| 86 | S | 96.9 | Very high | 96.3 | Very high | 88 Ų | 88 | 64.2 Ų | 64.2 | 62% | 0.615 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -83.8 | -31.3 | 177.2 | 49.2 | 0 | 0 | 0 | 0 | 114 | R82 H83 N84 | R82-S86 PolarHBondContact O-N 3.49Å; R82-S86 PolarHBondContact O-OG 3.16Å; H83-S86 PolarHBondContact O-N 2.9Å; H83-S86 VanDerWaalsContact O-N 3.15Å; H83-S86 PolarHBondContact O-OG 3.15Å; N84-S86 VanDerWaalsContact C-N 3.31Å; N84-S86 PolarHBondContact O-N 3.48Å |
| 87 | S | 96.4 | Very high | 96.1 | Very high | 65 Ų | 65 | 66.1 Ų | 66.1 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -86.7 | -30.9 | -170.8 | -65.6 | 0 | 0 | 0 | 0 | 113.5 | H83 | H83-S87 PolarHBondContact CE1-OG 2.94Å; H83-S87 PolarHBondContact ND1-OG 3.41Å; H83-S87 VanDerWaalsContact O-CB 3.27Å; H83-S87 WeakPolarHBondContact O-CB 3.13Å; H83-S87 PolarHBondContact O-N 2.88Å; H83-S87 PolarHBondContact O-OG 3.07Å |
| 88 | N | 97.1 | Very high | 95.8 | Very high | 47 Ų | 47 | 71.3 Ų | 71.3 | 25% | 0.251 | 35% | 0.353 | S | S | . | . | trans | -95 | 126.7 | -177.6 | -60.6 | -76 | 0 | 0 | 0 | 111.1 | L39 N84 C90 F91 | L39-N88 HydrophobicContact CD1-CB 4.14Å; N84-N88 PolarHBondContact O-N 3.25Å; N84-N88 PolarHBondContact O-ND2 2.98Å; N84-N88 PolarHBondContact OD1-ND2 3.28Å; N88-C90 PolarHBondContact O-N 3.27Å; N88-C90 VanDerWaalsContact O-N 3.17Å; N88-F91 HydrophobicContact CB-CD2 3.94Å; N88-F91 HydrophobicContact CB-CE2 4.21Å; N88-F91 PolarHBondContact O-N 3.46Å; N88-F91 VanDerWaalsContact O-N 3.08Å | ||
| 89 | R | 96.6 | Very high | 95.6 | Very high | 229 Ų | 229 | 73.4 Ų | 73.4 | 86% | 0.864 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -22.5 | -179.5 | -65.6 | -172.5 | 179.7 | -177.7 | 0.6 | 114.1 | F91 | R89-F91 PolarHBondContact O-N 2.86Š|
| 90 | C | 97.3 | Very high | 95.2 | Very high | 3 Ų | 3 | 75.7 Ų | 75.7 | 2% | 0.02 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -18 | 175.9 | 64.6 | 0 | 0 | 0 | 0 | 113 | N88 V110 D111 L114 I115 | N88-C90 PolarHBondContact O-N 3.27Å; N88-C90 VanDerWaalsContact O-N 3.17Å; C90-V110 CarbonylContact O-C 3.52Å; C90-V110 WeakPolarHBondContact O-CA 3.4Å; C90-D111 PolarHBondContact O-N 3.36Å; C90-L114 HydrophobicContact CB-CB 4Å; C90-I115 HydrophobicContact CB-CG1 4.02Å |
| 91 | F | 97.8 | Very high | 94.6 | Very high | 11 Ų | 11 | 77 Ų | 77 | 5% | 0.048 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 122.6 | 175.3 | -59.6 | -56.3 | 0 | 0 | 0 | 110.4 | L39 I42 A43 I46 N84 L85 N88 R89 W108 V110 | L39-F91 HydrophobicContact CB-CE2 4.46Å; L39-F91 HydrophobicContact CG-CE2 4.03Å; L39-F91 HydrophobicContact CG-CZ 4.1Å; I42-F91 HydrophobicContact CB-CE1 4.16Å; I42-F91 HydrophobicContact CB-CE2 4.42Å; I42-F91 HydrophobicContact CB-CZ 3.74Å; I42-F91 HydrophobicContact CD1-CE2 4.46Å; I42-F91 HydrophobicContact CG2-CD1 4.17Å; I42-F91 HydrophobicContact CG2-CE1 3.51Å; I42-F91 HydrophobicContact CG2-CE2 4.22Å; I42-F91 HydrophobicContact CG2-CZ 3.54Å; A43-F91 HydrophobicContact CB-CE1 4.39Å; A43-F91 HydrophobicContact CB-CZ 4.5Å; I46-F91 HydrophobicContact CD1-CD1 4.26Å; I46-F91 HydrophobicContact CD1-CE1 4.3Å; N84-F91 WeakPolarHBondContact O-CD2 3.49Å; L85-F91 HydrophobicContact CD2-CB 4.11Å; L85-F91 HydrophobicContact CD2-CD1 4.18Å; L85-F91 HydrophobicContact CD2-CD2 4.17Å; L85-F91 HydrophobicContact CD2-CG 3.88Å; N88-F91 HydrophobicContact CB-CD2 3.94Å; N88-F91 HydrophobicContact CB-CE2 4.21Å; N88-F91 PolarHBondContact O-N 3.46Å; N88-F91 VanDerWaalsContact O-N 3.08Å; R89-F91 PolarHBondContact O-N 2.86Å; F91-W108 HydrophobicContact CB-CE3 4.09Å; F91-W108 HydrophobicContact CB-CZ3 4.27Å; F91-V110 HydrophobicContact CD1-CB 4.11Å; F91-V110 HydrophobicContact CD1-CG2 4.04Å; F91-V110 HydrophobicContact CE1-CB 4.1Å; F91-V110 HydrophobicContact CE1-CG2 3.8Å |
| 92 | R | 96.6 | Very high | 94.2 | Very high | 139 Ų | 139 | 84.9 Ų | 84.9 | 53% | 0.525 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 138.4 | 177.9 | 66.4 | -175.7 | 179.8 | 95.1 | -0.2 | 110.8 | V94 W108 A109 | R92-V94 HydrophobicContact CG-CG2 4.37Å; R92-W108 WeakPolarHBondContact O-CA 3.37Å; R92-A109 HydrophobicContact CG-CB 4.09Å; R92-A109 PolarHBondContact N-O 3.17Å; R92-A109 PolarHBondContact O-N 3.06Å |
| 93 | K | 96.4 | Very high | 93.5 | Very high | 96 Ų | 96 | 81.5 Ų | 81.5 | 42% | 0.417 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 124.4 | 173.4 | -162.9 | -175.7 | -171.8 | -157.1 | 0 | 108.8 | N106 W108 | K93-N106 HydrophobicContact CD-CB 4.41Å; K93-N106 WeakPolarHBondContact CE-ND2 3.39Å; K93-N106 HydrophobicContact CG-CB 3.95Å; K93-N106 PolarHBondContact NZ-ND2 3.43Å; K93-N106 VanDerWaalsContact NZ-ND2 3.19Å; K93-W108 HydrophobicContact CB-CE3 4.45Å; K93-W108 HydrophobicContact CB-CH2 4.3Å; K93-W108 HydrophobicContact CB-CZ3 4.19Å |
| 94 | V | 95.5 | Very high | 93 | Very high | 23 Ų | 23 | 86.7 Ų | 86.7 | 14% | 0.139 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 114.2 | 177.7 | -179.1 | 0 | 0 | 0 | 0 | 108.2 | R92 K96 F107 A109 | R92-V94 HydrophobicContact CG-CG2 4.37Å; V94-K96 PolarHBondContact O-N 2.82Å; V94-F107 HydrophobicContact CB-CB 4.14Å; V94-F107 PolarHBondContact N-O 3.17Å; V94-F107 PolarHBondContact O-N 2.84Å; V94-A109 HydrophobicContact CG2-CB 3.72Å |
| 95 | P | 94.2 | Very high | 92.6 | Very high | 53 Ų | 53 | 87.2 Ų | 87.2 | 34% | 0.344 | 46% | 0.456 | S | S | . | . | trans | -53.2 | 136.8 | 175.9 | -28.1 | 36.4 | 0 | 0 | 0 | 111.8 | P101 N106 | P95-P101 HydrophobicContact CG-CB 4.1Å; P95-N106 WeakPolarHBondContact CA-OD1 3.4Å | ||
| 96 | K | 91.5 | Very high | 92.5 | Very high | 145 Ų | 145 | 87.4 Ų | 87.4 | 63% | 0.63 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -68.9 | -42.4 | 167.8 | -179.7 | -170.5 | 173.5 | -161.1 | 0 | 110.2 | V94 N106 F107 | V94-K96 PolarHBondContact O-N 2.82Å; K96-N106 PolarHBondContact N-OD1 3.32Å; K96-F107 HydrophobicContact CB-CD2 4.42Å; K96-F107 HydrophobicContact CB-CE2 4.16Å; K96-F107 HydrophobicContact CG-CE2 4.1Å |
| 97 | D | 89.8 | Confident | 92.5 | Very high | 68 Ų | 68 | 84.9 Ų | 84.9 | 36% | 0.364 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -123.1 | 119.7 | 178.7 | 178.7 | -7.6 | 0 | 0 | 0 | 107.3 | A99 K100 | D97-A99 PolarHBondContact O-N 3.36Å; D97-A99 WeakPolarHBondContact OD1-CB 3.5Å; D97-A99 PolarHBondContact OD1-N 2.87Å; D97-K100 HydrophobicContact CB-CB 4.44Å; D97-K100 CarbonylContact O-C 3.34Å; D97-K100 PolarHBondContact O-N 3.3Å |
| 98 | P | 88.4 | Confident | 92.5 | Very high | 119 Ų | 119 | 84 Ų | 84 | 77% | 0.773 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -26.1 | 179.7 | 26.2 | -34.3 | 0 | 0 | 0 | 112.7 | K100 | P98-K100 VanDerWaalsContact C-N 3.28Å; P98-K100 PolarHBondContact O-N 3.06Å |
| 99 | A | 90.9 | Very high | 92.6 | Very high | 81 Ų | 81 | 82 Ų | 82 | 67% | 0.669 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -20 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D97 | D97-A99 PolarHBondContact O-N 3.36Å; D97-A99 WeakPolarHBondContact OD1-CB 3.5Å; D97-A99 PolarHBondContact OD1-N 2.87Å |
| 100 | K | 88.6 | Confident | 92.6 | Very high | 137 Ų | 137 | 71.7 Ų | 71.7 | 60% | 0.596 | 37% | 0.374 | S | S | * | . | trans | -130.8 | 66.6 | -176 | -63.9 | -179.9 | -176.7 | 174.3 | 0 | 111.3 | D97 P98 Q102 A103 | D97-K100 HydrophobicContact CB-CB 4.44Å; D97-K100 CarbonylContact O-C 3.34Å; D97-K100 PolarHBondContact O-N 3.3Å; P98-K100 VanDerWaalsContact C-N 3.28Å; P98-K100 PolarHBondContact O-N 3.06Å; K100-Q102 PolarHBondContact O-N 3.42Å; K100-Q102 VanDerWaalsContact O-N 3.13Å; K100-A103 HydrophobicContact CB-CB 4.22Å; K100-A103 WeakPolarHBondContact O-CB 3.46Å; K100-A103 PolarHBondContact O-N 3.2Å; K100-A103 VanDerWaalsContact O-N 3.12Å | ||
| 101 | P | 84.9 | Confident | 92.6 | Very high | 67 Ų | 67 | 74.3 Ų | 74.3 | 44% | 0.435 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -26 | -174.3 | 25 | -34.6 | 0 | 0 | 0 | 113.7 | P95 N106 | P95-P101 HydrophobicContact CG-CB 4.1Å; P101-N106 PolarHBondContact O-ND2 2.97Å |
| 102 | Q | 88.2 | Confident | 92.4 | Very high | 165 Ų | 165 | 75.8 Ų | 75.8 | 77% | 0.771 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -0.9 | -178.6 | -129.8 | 67.8 | -35 | 0 | 0 | 114.5 | K100 | K100-Q102 PolarHBondContact O-N 3.42Å; K100-Q102 VanDerWaalsContact O-N 3.13Å |
| 103 | A | 83.2 | Confident | 92.3 | Very high | 41 Ų | 41 | 73.9 Ų | 73.9 | 34% | 0.339 | 41% | 0.406 | S | S | . | . | trans | -60.3 | 149.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K100 N106 | K100-A103 HydrophobicContact CB-CB 4.22Å; K100-A103 WeakPolarHBondContact O-CB 3.46Å; K100-A103 PolarHBondContact O-N 3.2Å; K100-A103 VanDerWaalsContact O-N 3.12Å; A103-N106 VanDerWaalsContact O-CG 3.28Å; A103-N106 PolarHBondContact O-ND2 3.02Å | ||
| 104 | K | 87.5 | Confident | 92.3 | Very high | 216 Ų | 216 | 73.8 Ų | 73.8 | 94% | 0.939 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 141.2 | 171.9 | -173.9 | 176.6 | -179.3 | 178.4 | 0 | 109.9 | ||
| 105 | G | 88.7 | Confident | 92.3 | Very high | 36 Ų | 36 | 73.4 Ų | 73.4 | 37% | 0.371 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 22 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 106 | N | 95.1 | Very high | 92.3 | Very high | 7 Ų | 7 | 73.7 Ų | 73.7 | 4% | 0.037 | 41% | 0.408 | C | S | . | . | trans | -56.4 | 156.2 | 164.9 | -70.7 | -37.4 | 0 | 0 | 0 | 111.6 | K93 P95 K96 P101 A103 | K93-N106 HydrophobicContact CD-CB 4.41Å; K93-N106 WeakPolarHBondContact CE-ND2 3.39Å; K93-N106 HydrophobicContact CG-CB 3.95Å; K93-N106 PolarHBondContact NZ-ND2 3.43Å; K93-N106 VanDerWaalsContact NZ-ND2 3.19Å; P95-N106 WeakPolarHBondContact CA-OD1 3.4Å; K96-N106 PolarHBondContact N-OD1 3.32Å; P101-N106 PolarHBondContact O-ND2 2.97Å; A103-N106 VanDerWaalsContact O-CG 3.28Å; A103-N106 PolarHBondContact O-ND2 3.02Å | ||
| 107 | F | 97.1 | Very high | 92.1 | Very high | 34 Ų | 34 | 69.3 Ų | 69.3 | 15% | 0.149 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 157.9 | 176.5 | -63.1 | -84.6 | 0 | 0 | 0 | 110.4 | R53 K55 V94 K96 | R53-F107 HydrophobicContact CB-CB 4.14Å; R53-F107 HydrophobicContact CG-CB 4.22Å; R53-F107 HydrophobicContact CG-CD1 4.09Å; R53-F107 HydrophobicContact CG-CG 4.21Å; K55-F107 HydrophobicContact CD-CE1 4.44Å; K55-F107 HydrophobicContact CG-CD1 3.88Å; K55-F107 HydrophobicContact CG-CE1 3.88Å; V94-F107 HydrophobicContact CB-CB 4.14Å; V94-F107 PolarHBondContact N-O 3.17Å; V94-F107 PolarHBondContact O-N 2.84Å; K96-F107 HydrophobicContact CB-CD2 4.42Å; K96-F107 HydrophobicContact CB-CE2 4.16Å; K96-F107 HydrophobicContact CG-CE2 4.1Å |
| 108 | W | 97.9 | Very high | 92.1 | Very high | 46 Ų | 46 | 71.9 Ų | 71.9 | 17% | 0.174 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 131.6 | 167.5 | -70.5 | 94.6 | 0 | 0 | 0 | 108 | I46 R53 L54 I59 L85 F91 R92 K93 | I46-W108 HydrophobicContact CD1-CB 4.37Å; R53-W108 CarbonylContact C-O 3.54Å; R53-W108 WeakPolarHBondContact CA-O 3.27Å; L54-W108 PolarHBondContact N-O 3.28Å; L54-W108 PolarHBondContact O-N 2.77Å; I59-W108 HydrophobicContact CD1-CB 3.94Å; I59-W108 HydrophobicContact CD1-CG 4.34Å; L85-W108 HydrophobicContact CB-CD2 4.14Å; L85-W108 HydrophobicContact CB-CE3 4.13Å; L85-W108 HydrophobicContact CB-CH2 3.98Å; L85-W108 HydrophobicContact CB-CZ2 4.01Å; L85-W108 HydrophobicContact CB-CZ3 4.05Å; L85-W108 HydrophobicContact CD1-CD2 4.28Å; L85-W108 HydrophobicContact CD1-CG 4.25Å; L85-W108 HydrophobicContact CD2-CB 4.18Å; L85-W108 HydrophobicContact CD2-CD2 3.95Å; L85-W108 HydrophobicContact CD2-CE3 4.07Å; L85-W108 HydrophobicContact CD2-CG 4.01Å; L85-W108 HydrophobicContact CG-CD2 4.36Å; L85-W108 WeakPolarHBondContact O-CH2 3.35Å; L85-W108 WeakPolarHBondContact O-CZ3 3.46Å; F91-W108 HydrophobicContact CB-CE3 4.09Å; F91-W108 HydrophobicContact CB-CZ3 4.27Å; R92-W108 WeakPolarHBondContact O-CA 3.37Å; K93-W108 HydrophobicContact CB-CE3 4.45Å; K93-W108 HydrophobicContact CB-CH2 4.3Å; K93-W108 HydrophobicContact CB-CZ3 4.19Å |
| 109 | A | 97.6 | Very high | 92.3 | Very high | 5 Ų | 5 | 67 Ų | 67 | 4% | 0.041 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 157.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | R53 R92 V94 | R53-A109 HydrophobicContact CB-CB 4.31Å; R92-A109 HydrophobicContact CG-CB 4.09Å; R92-A109 PolarHBondContact N-O 3.17Å; R92-A109 PolarHBondContact O-N 3.06Å; V94-A109 HydrophobicContact CG2-CB 3.72Å |
| 110 | V | 97.3 | Very high | 92.4 | Very high | 13 Ų | 13 | 63.2 Ų | 63.2 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 132.6 | 173.8 | 66.3 | 0 | 0 | 0 | 0 | 109.5 | A43 I46 Q47 C90 F91 V112 I115 | A43-V110 HydrophobicContact CB-CG2 4.23Å; I46-V110 HydrophobicContact CB-CG1 4.35Å; I46-V110 HydrophobicContact CG2-CB 4.32Å; I46-V110 HydrophobicContact CG2-CG1 3.9Å; Q47-V110 HydrophobicContact CG-CG1 3.71Å; Q47-V110 VanDerWaalsContact OE1-CG1 3.31Å; C90-V110 CarbonylContact O-C 3.52Å; C90-V110 WeakPolarHBondContact O-CA 3.4Å; F91-V110 HydrophobicContact CD1-CB 4.11Å; F91-V110 HydrophobicContact CD1-CG2 4.04Å; F91-V110 HydrophobicContact CE1-CB 4.1Å; F91-V110 HydrophobicContact CE1-CG2 3.8Å; V110-V112 HydrophobicContact CG1-CG2 4.46Å; V110-I115 HydrophobicContact CG2-CD1 3.74Å; V110-I115 HydrophobicContact CG2-CG1 4.14Å |
| 111 | D | 96.6 | Very high | 92.6 | Very high | 58 Ų | 58 | 63.4 Ų | 63.4 | 31% | 0.31 | 35% | 0.345 | S | S | . | . | trans | -89.4 | 110.1 | 162.8 | -169.4 | -24 | 0 | 0 | 0 | 108.3 | C90 S113 L114 | C90-D111 PolarHBondContact O-N 3.36Å; D111-S113 VanDerWaalsContact C-N 3.27Å; D111-S113 PolarHBondContact O-N 3.43Å; D111-S113 WeakPolarHBondContact OD1-CB 3.15Å; D111-S113 PolarHBondContact OD1-N 2.97Å; D111-S113 PolarHBondContact OD1-OG 3.45Å; D111-L114 HydrophobicContact CB-CB 4.42Å; D111-L114 HydrophobicContact CB-CD1 4.06Å; D111-L114 HydrophobicContact CB-CG 4.21Å; D111-L114 PolarHBondContact O-N 2.87Å | ||
| 112 | V | 94.9 | Very high | 92.7 | Very high | 43 Ų | 43 | 62.7 Ų | 62.7 | 26% | 0.261 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -67.4 | -31 | -174.9 | -176.9 | 0 | 0 | 0 | 0 | 111.5 | V110 L114 I115 L149 | V110-V112 HydrophobicContact CG1-CG2 4.46Å; V112-L114 PolarHBondContact O-N 3.06Å; V112-I115 PolarHBondContact O-N 3.28Å; V112-L149 HydrophobicContact CG1-CB 4.16Å; V112-L149 HydrophobicContact CG1-CD2 3.31Å; V112-L149 HydrophobicContact CG1-CG 4.32Å |
| 113 | S | 94.6 | Very high | 92.7 | Very high | 99 Ų | 99 | 58.6 Ų | 58.6 | 69% | 0.692 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -69.6 | -24.8 | -178.2 | 69.5 | 0 | 0 | 0 | 0 | 112.8 | D111 | D111-S113 VanDerWaalsContact C-N 3.27Å; D111-S113 PolarHBondContact O-N 3.43Å; D111-S113 WeakPolarHBondContact OD1-CB 3.15Å; D111-S113 PolarHBondContact OD1-N 2.97Å; D111-S113 PolarHBondContact OD1-OG 3.45Å |
| 114 | L | 96.3 | Very high | 92.6 | Very high | 93 Ų | 93 | 62.7 Ų | 62.7 | 49% | 0.487 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -93.8 | 3.3 | -178.5 | -60.4 | -178.7 | 0 | 0 | 0 | 113 | C90 D111 V112 P116 | C90-L114 HydrophobicContact CB-CB 4Å; D111-L114 HydrophobicContact CB-CB 4.42Å; D111-L114 HydrophobicContact CB-CD1 4.06Å; D111-L114 HydrophobicContact CB-CG 4.21Å; D111-L114 PolarHBondContact O-N 2.87Å; V112-L114 PolarHBondContact O-N 3.06Å; L114-P116 WeakPolarHBondContact O-CD 3.4Å |
| 115 | I | 95.3 | Very high | 92.4 | Very high | 16 Ų | 16 | 54.4 Ų | 54.4 | 8% | 0.082 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -80.2 | 120.4 | 177.9 | -60.7 | 176.3 | 0 | 0 | 0 | 108.8 | L39 A43 C90 V110 V112 A117 L120 V148 L149 | L39-I115 HydrophobicContact CD2-CG2 4.01Å; A43-I115 HydrophobicContact CB-CD1 4.07Å; C90-I115 HydrophobicContact CB-CG1 4.02Å; V110-I115 HydrophobicContact CG2-CD1 3.74Å; V110-I115 HydrophobicContact CG2-CG1 4.14Å; V112-I115 PolarHBondContact O-N 3.28Å; I115-A117 PolarHBondContact O-N 3.43Å; I115-L120 HydrophobicContact CG2-CD1 3.89Å; I115-L120 HydrophobicContact CG2-CD2 3.85Å; I115-L120 HydrophobicContact CG2-CG 3.68Å; I115-V148 HydrophobicContact CD1-CG1 3.59Å; I115-L149 HydrophobicContact CD1-CD2 4.48Å |
| 116 | P | 93.3 | Very high | 91.7 | Very high | 58 Ų | 58 | 55.9 Ų | 55.9 | 38% | 0.377 | 31% | 0.31 | S | S | . | . | trans | -62.6 | 130.1 | 170 | -17.9 | 31.5 | 0 | 0 | 0 | 109.8 | L114 E118 A119 | L114-P116 WeakPolarHBondContact O-CD 3.4Å; P116-E118 VanDerWaalsContact C-N 3.27Å; P116-E118 HydrophobicContact CB-CG 4.23Å; P116-E118 WeakPolarHBondContact CB-OE1 3.37Å; P116-E118 PolarHBondContact O-N 3.19Å; P116-A119 HydrophobicContact CB-CB 4.14Å; P116-A119 HydrophobicContact CG-CB 4.41Å; P116-A119 VanDerWaalsContact O-CB 3.27Å; P116-A119 WeakPolarHBondContact O-CB 3.32Å; P116-A119 PolarHBondContact O-N 3.36Å | ||
| 117 | A | 87.8 | Confident | 90.9 | Very high | 54 Ų | 54 | 56.1 Ų | 56.1 | 45% | 0.446 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -59.9 | -41.6 | -174 | 0 | 0 | 0 | 0 | 0 | 111.6 | I115 A119 L120 | I115-A117 PolarHBondContact O-N 3.43Å; A117-A119 PolarHBondContact O-N 3.03Å; A117-L120 WeakPolarHBondContact O-CB 3.41Å; A117-L120 PolarHBondContact O-N 3.32Å; A117-L120 VanDerWaalsContact O-N 3.12Å |
| 118 | E | 90.6 | Very high | 89.9 | Confident | 122 Ų | 122 | 55.1 Ų | 55.1 | 57% | 0.57 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -58.3 | -28.7 | 173.5 | 37.1 | -69.9 | 154 | 0 | 0 | 113.8 | P116 L120 R121 | P116-E118 VanDerWaalsContact C-N 3.27Å; P116-E118 HydrophobicContact CB-CG 4.23Å; P116-E118 WeakPolarHBondContact CB-OE1 3.37Å; P116-E118 PolarHBondContact O-N 3.19Å; E118-L120 PolarHBondContact O-N 3.11Å; E118-R121 PolarHBondContact O-N 3.45Å |
| 119 | A | 92.4 | Very high | 88.9 | Confident | 17 Ų | 17 | 58.7 Ų | 58.7 | 14% | 0.14 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -68.2 | -25.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T37 L39 A40 P116 A117 | T37-A119 PolarHBondContact OG1-O 2.93Å; L39-A119 HydrophobicContact CD1-CB 4.25Å; L39-A119 HydrophobicContact CD2-CB 3.98Å; A40-A119 WeakPolarHBondContact CB-O 3.47Å; P116-A119 HydrophobicContact CB-CB 4.14Å; P116-A119 HydrophobicContact CG-CB 4.41Å; P116-A119 VanDerWaalsContact O-CB 3.27Å; P116-A119 WeakPolarHBondContact O-CB 3.32Å; P116-A119 PolarHBondContact O-N 3.36Å; A117-A119 PolarHBondContact O-N 3.03Å |
| 120 | L | 93.6 | Very high | 87.9 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -85.5 | -11.1 | 178.3 | -60.7 | -175.7 | 0 | 0 | 0 | 113.8 | A40 I115 A117 E118 L144 V148 L149 | A40-L120 HydrophobicContact CB-CD2 3.89Å; I115-L120 HydrophobicContact CG2-CD1 3.89Å; I115-L120 HydrophobicContact CG2-CD2 3.85Å; I115-L120 HydrophobicContact CG2-CG 3.68Å; A117-L120 WeakPolarHBondContact O-CB 3.41Å; A117-L120 PolarHBondContact O-N 3.32Å; A117-L120 VanDerWaalsContact O-N 3.12Å; E118-L120 PolarHBondContact O-N 3.11Å; L120-L144 HydrophobicContact CB-CB 4.3Å; L120-L144 PolarHBondContact O-N 3.08Å; L120-V148 HydrophobicContact CD1-CB 4.01Å; L120-V148 HydrophobicContact CD1-CG1 4.18Å; L120-V148 HydrophobicContact CD1-CG2 4.46Å; L120-V148 HydrophobicContact CD2-CB 4.36Å; L120-V148 HydrophobicContact CD2-CG1 4.28Å; L120-V148 HydrophobicContact CD2-CG2 4.05Å; L120-L149 HydrophobicContact CD1-CD1 4.46Å; L120-L149 HydrophobicContact CD1-CD2 3.9Å; L120-L149 HydrophobicContact CD1-CG 4.08Å |
| 121 | R | 91.3 | Very high | 86.7 | Confident | 141 Ų | 141 | 67.1 Ų | 67.1 | 53% | 0.532 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -75.4 | 152.9 | 178 | -68.3 | -176.9 | 171.7 | 149 | -2.9 | 111.4 | E118 Q123 | E118-R121 PolarHBondContact O-N 3.45Å; R121-Q123 PolarHBondContact O-N 3.43Å |
| 122 | L | 88.1 | Confident | 85.5 | Confident | 51 Ų | 51 | 72.6 Ų | 72.6 | 27% | 0.267 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 130.7 | 173.4 | -160.4 | 78.8 | 0 | 0 | 0 | 110.9 | P35 Y36 C128 F140 A141 K142 | P35-L122 HydrophobicContact CB-CD1 4.02Å; P35-L122 HydrophobicContact CB-CG 4.19Å; P35-L122 HydrophobicContact CG-CD1 3.36Å; P35-L122 HydrophobicContact CG-CG 4Å; Y36-L122 HydrophobicContact CD1-CD1 4.16Å; Y36-L122 HydrophobicContact CE1-CD1 3.65Å; L122-C128 HydrophobicContact CD2-CB 4.1Å; L122-C128 WeakPolarHBondContact CD2-SG 3.48Å; L122-F140 HydrophobicContact CD1-CB 3.86Å; L122-A141 WeakPolarHBondContact CD1-O 3.1Å; L122-K142 WeakPolarHBondContact CB-O 3.38Å; L122-K142 PolarHBondContact N-O 2.7Å |
| 123 | Q | 87.3 | Confident | 84.3 | Confident | 79 Ų | 79 | 79.7 Ų | 79.7 | 37% | 0.369 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 144.7 | 174.3 | -64.7 | -168.6 | -41.2 | 0 | 0 | 111.2 | P35 T37 R121 T125 C128 | P35-Q123 PolarHBondContact O-N 2.95Å; T37-Q123 HydrophobicContact CG2-CG 4.19Å; T37-Q123 VanDerWaalsContact CG2-NE2 3.29Å; R121-Q123 PolarHBondContact O-N 3.43Å; Q123-T125 HydrophobicContact CB-CG2 4.07Å; Q123-T125 PolarHBondContact O-N 3.48Å; Q123-C128 PolarHBondContact O-SG 2.87Å |
| 124 | N | 82.6 | Confident | 82.9 | Confident | 128 Ų | 128 | 78.1 Ų | 78.1 | 68% | 0.684 | 40% | 0.402 | S | S | * | . | trans | -77.1 | 71.5 | 176.2 | -171.7 | -1.4 | 0 | 0 | 0 | 112 | R129 | N124-R129 PolarHBondContact O-NH1 3.42Å; N124-R129 WeakPolarHBondContact OD1-CG 3.49Å; N124-R129 PolarHBondContact OD1-NH1 2.92Å | ||
| 125 | T | 81.6 | Confident | 81.2 | Confident | 42 Ų | 42 | 76.1 Ų | 76.1 | 26% | 0.258 | 40% | 0.403 | S | S | . | . | trans | -90.2 | 162.7 | 175.4 | 69.2 | 0 | 0 | 0 | 0 | 111.6 | P35 Q123 L127 C128 R129 | P35-T125 HydrophobicContact CB-CG2 3.98Å; Q123-T125 HydrophobicContact CB-CG2 4.07Å; Q123-T125 PolarHBondContact O-N 3.48Å; T125-L127 PolarHBondContact O-N 3.18Å; T125-C128 WeakPolarHBondContact O-CB 3.08Å; T125-C128 PolarHBondContact O-N 3.4Å; T125-C128 PolarHBondContact OG1-N 3.33Å; T125-C128 PolarHBondContact OG1-SG 3.47Å; T125-C128 VanDerWaalsContact OG1-SG 3.33Å; T125-R129 PolarHBondContact O-N 3.16Å | ||
| 126 | A | 75.6 | Confident | 79.4 | Confident | 67 Ų | 67 | 79.6 Ų | 79.6 | 55% | 0.554 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -56.9 | -32.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R129 R130 | A126-R129 PolarHBondContact O-N 3.31Å; A126-R130 WeakPolarHBondContact O-CB 3.49Å; A126-R130 PolarHBondContact O-N 3.19Å |
| 127 | L | 76.7 | Confident | 77.6 | Confident | 12 Ų | 12 | 88.8 Ų | 88.8 | 6% | 0.063 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -63.6 | -45 | 173.9 | 173.5 | 144.4 | 0 | 0 | 0 | 112.1 | D32 P35 T125 R129 R130 W131 F140 | D32-L127 HydrophobicContact CB-CD1 3Å; D32-L127 HydrophobicContact CB-CG 4.42Å; P35-L127 HydrophobicContact CB-CD2 4.49Å; P35-L127 HydrophobicContact CG-CD2 3.97Å; T125-L127 PolarHBondContact O-N 3.18Å; L127-R129 VanDerWaalsContact C-N 3.32Å; L127-R129 PolarHBondContact O-N 3.46Å; L127-R130 WeakPolarHBondContact O-CB 3.45Å; L127-R130 PolarHBondContact O-N 2.94Å; L127-W131 HydrophobicContact CD1-CH2 4.34Å; L127-W131 HydrophobicContact CD1-CZ2 3.81Å; L127-W131 HydrophobicContact CD2-CD2 3.57Å; L127-W131 HydrophobicContact CD2-CE3 3.48Å; L127-W131 VanDerWaalsContact CD2-CE3 3.48Å; L127-W131 HydrophobicContact CD2-CG 4.42Å; L127-W131 HydrophobicContact CD2-CH2 3.73Å; L127-W131 HydrophobicContact CD2-CZ2 3.76Å; L127-W131 HydrophobicContact CD2-CZ3 3.59Å; L127-W131 HydrophobicContact CG-CD2 3.99Å; L127-W131 HydrophobicContact CG-CE3 4.39Å; L127-W131 HydrophobicContact CG-CH2 4.43Å; L127-W131 HydrophobicContact CG-CZ2 3.97Å; L127-W131 PolarHBondContact O-N 3.25Å; L127-F140 HydrophobicContact CD2-CD2 4.26Å; L127-F140 HydrophobicContact CD2-CE2 4.43Å |
| 128 | C | 75.8 | Confident | 76.4 | Confident | 12 Ų | 12 | 88 Ų | 88 | 8% | 0.081 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 177.9 | -65 | 0 | 0 | 0 | 0 | 111.6 | P35 L122 Q123 T125 R130 W131 Q132 | P35-C128 WeakPolarHBondContact CB-SG 3.09Å; P35-C128 WeakPolarHBondContact CG-SG 3.29Å; L122-C128 HydrophobicContact CD2-CB 4.1Å; L122-C128 WeakPolarHBondContact CD2-SG 3.48Å; Q123-C128 PolarHBondContact O-SG 2.87Å; T125-C128 WeakPolarHBondContact O-CB 3.08Å; T125-C128 PolarHBondContact O-N 3.4Å; T125-C128 PolarHBondContact OG1-N 3.33Å; T125-C128 PolarHBondContact OG1-SG 3.47Å; T125-C128 VanDerWaalsContact OG1-SG 3.33Å; C128-R130 VanDerWaalsContact C-N 3.29Å; C128-R130 PolarHBondContact O-N 3.05Å; C128-W131 PolarHBondContact O-N 3.23Å; C128-Q132 PolarHBondContact O-N 2.85Å |
| 129 | R | 77.2 | Confident | 75.6 | Confident | 121 Ų | 121 | 84.3 Ų | 84.3 | 46% | 0.457 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62 | -38.5 | 177.8 | -66.3 | -170 | -69.6 | -87 | 10 | 112 | N124 T125 A126 L127 K133 | N124-R129 PolarHBondContact O-NH1 3.42Å; N124-R129 WeakPolarHBondContact OD1-CG 3.49Å; N124-R129 PolarHBondContact OD1-NH1 2.92Å; T125-R129 PolarHBondContact O-N 3.16Å; A126-R129 PolarHBondContact O-N 3.31Å; L127-R129 VanDerWaalsContact C-N 3.32Å; L127-R129 PolarHBondContact O-N 3.46Å; R129-K133 PolarHBondContact O-N 3.06Å |
| 130 | R | 76.6 | Confident | 75.1 | Confident | 127 Ų | 127 | 84.8 Ų | 84.8 | 48% | 0.479 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 175.2 | -175.7 | 178.3 | 62.3 | -157.9 | -0.1 | 111.6 | D32 A126 L127 C128 K133 G134 | D32-R130 IonicContact OD1-NH2 3.88Å; D32-R130 IonicContact OD2-CZ 3.71Å; D32-R130 IonicContact OD2-NH1 3.96Å; D32-R130 IonicContact OD2-NH2 2.66Å; D32-R130 PolarHBondContact OD2-NH2 3.44Å; A126-R130 WeakPolarHBondContact O-CB 3.49Å; A126-R130 PolarHBondContact O-N 3.19Å; L127-R130 WeakPolarHBondContact O-CB 3.45Å; L127-R130 PolarHBondContact O-N 2.94Å; C128-R130 VanDerWaalsContact C-N 3.29Å; C128-R130 PolarHBondContact O-N 3.05Å; R130-K133 PolarHBondContact O-N 3.21Å; R130-G134 PolarHBondContact O-N 2.95Å; R130-G134 VanDerWaalsContact O-N 3.11Å |
| 131 | W | 71.9 | Confident | 74.8 | Confident | 68 Ų | 68 | 85.9 Ų | 85.9 | 26% | 0.258 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -71.2 | -31.9 | 180 | -69.7 | -10.5 | 0 | 0 | 0 | 113.8 | L127 C128 K133 G134 A139 F140 | L127-W131 HydrophobicContact CD1-CH2 4.34Å; L127-W131 HydrophobicContact CD1-CZ2 3.81Å; L127-W131 HydrophobicContact CD2-CD2 3.57Å; L127-W131 HydrophobicContact CD2-CE3 3.48Å; L127-W131 VanDerWaalsContact CD2-CE3 3.48Å; L127-W131 HydrophobicContact CD2-CG 4.42Å; L127-W131 HydrophobicContact CD2-CH2 3.73Å; L127-W131 HydrophobicContact CD2-CZ2 3.76Å; L127-W131 HydrophobicContact CD2-CZ3 3.59Å; L127-W131 HydrophobicContact CG-CD2 3.99Å; L127-W131 HydrophobicContact CG-CE3 4.39Å; L127-W131 HydrophobicContact CG-CH2 4.43Å; L127-W131 HydrophobicContact CG-CZ2 3.97Å; L127-W131 PolarHBondContact O-N 3.25Å; C128-W131 PolarHBondContact O-N 3.23Å; W131-K133 PolarHBondContact O-N 2.86Å; W131-G134 PolarHBondContact O-N 3.36Å; W131-A139 HydrophobicContact CE3-CB 4.29Å; W131-F140 HydrophobicContact CE3-CD2 4.11Å; W131-F140 AromaticContact CH2-CD2 3.17Å; W131-F140 HydrophobicContact CH2-CD2 3.17Å; W131-F140 AromaticContact CH2-CE2 3.23Å; W131-F140 HydrophobicContact CH2-CE2 3.23Å; W131-F140 AromaticContact CH2-CG 3.98Å; W131-F140 HydrophobicContact CH2-CG 3.98Å; W131-F140 HydrophobicContact CH2-CZ 4.13Å; W131-F140 HydrophobicContact CZ2-CD2 4.45Å; W131-F140 HydrophobicContact CZ2-CE2 4.31Å; W131-F140 HydrophobicContact CZ3-CB 3.77Å; W131-F140 AromaticContact CZ3-CD2 2.95Å; W131-F140 HydrophobicContact CZ3-CD2 2.95Å; W131-F140 AromaticContact CZ3-CE2 3.6Å; W131-F140 HydrophobicContact CZ3-CE2 3.6Å; W131-F140 AromaticContact CZ3-CG 3.56Å; W131-F140 HydrophobicContact CZ3-CG 3.56Å |
| 132 | Q | 71.7 | Confident | 74.6 | Confident | 173 Ų | 173 | 87.7 Ų | 87.7 | 81% | 0.808 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.9 | -27.9 | 174.1 | -166.7 | 165.6 | 7.3 | 0 | 0 | 112.4 | C128 | C128-Q132 PolarHBondContact O-N 2.85Å |
| 133 | K | 70.3 | Confident | 74.8 | Confident | 192 Ų | 192 | 88.3 Ų | 88.3 | 84% | 0.835 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -88 | -24.8 | 177.1 | -66.9 | -178 | 179.4 | -169.7 | 0 | 113.8 | R129 R130 W131 | R129-K133 PolarHBondContact O-N 3.06Å; R130-K133 PolarHBondContact O-N 3.21Å; W131-K133 PolarHBondContact O-N 2.86Å |
| 134 | G | 65.9 | Low | 75 | Confident | 66 Ų | 66 | 84.5 Ų | 84.5 | 68% | 0.68 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -95.8 | 3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | R130 W131 | R130-G134 PolarHBondContact O-N 2.95Å; R130-G134 VanDerWaalsContact O-N 3.11Å; W131-G134 PolarHBondContact O-N 3.36Å |
| 135 | G | 60.1 | Low | 75.5 | Confident | 51 Ų | 51 | 78.7 Ų | 78.7 | 53% | 0.526 | 43% | 0.425 | S | S | . | . | trans | 86.6 | 143.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R137 | G135-R137 PolarHBondContact O-N 2.94Š| ||
| 136 | A | 57.8 | Low | 76 | Confident | 90 Ų | 90 | 79 Ų | 79 | 74% | 0.744 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -70.5 | 2.1 | -164.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | G138 A139 | A136-G138 PolarHBondContact O-N 3.25Å; A136-A139 PolarHBondContact O-N 3.12Å |
| 137 | R | 55.6 | Low | 76.8 | Confident | 250 Ų | 250 | 78.9 Ų | 78.9 | 94% | 0.943 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | 114.5 | -178.2 | -70.9 | -167.2 | -170.1 | -170 | 4.8 | 110 | G135 | G135-R137 PolarHBondContact O-N 2.94Š|
| 138 | G | 62 | Low | 77.6 | Confident | 39 Ų | 39 | 78.3 Ų | 78.3 | 40% | 0.402 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 16.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A136 P157 | A136-G138 PolarHBondContact O-N 3.25Å; G138-P157 WeakPolarHBondContact O-CB 3.44Å |
| 139 | A | 72.7 | Confident | 78.4 | Confident | 44 Ų | 44 | 81.4 Ų | 81.4 | 36% | 0.364 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 143.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | W131 A136 | W131-A139 HydrophobicContact CE3-CB 4.29Å; A136-A139 PolarHBondContact O-N 3.12Å |
| 140 | F | 82.6 | Confident | 78.9 | Confident | 26 Ų | 26 | 82.2 Ų | 82.2 | 11% | 0.114 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -63 | 147.6 | 169.4 | -78 | -59 | 0 | 0 | 0 | 108.6 | P34 P35 Y36 F67 L122 L127 W131 K142 P157 | P34-F140 HydrophobicContact CB-CE1 4.48Å; P34-F140 HydrophobicContact CB-CE2 4.25Å; P34-F140 HydrophobicContact CB-CZ 3.99Å; P34-F140 HydrophobicContact CG-CZ 4.3Å; P35-F140 HydrophobicContact CG-CB 4.31Å; P35-F140 HydrophobicContact CG-CD2 3.5Å; P35-F140 VanDerWaalsContact CG-CD2 3.5Å; P35-F140 HydrophobicContact CG-CE2 4.22Å; P35-F140 HydrophobicContact CG-CG 4.19Å; Y36-F140 HydrophobicContact CE2-CB 4Å; Y36-F140 AromaticContact CE2-CD1 3.61Å; Y36-F140 HydrophobicContact CE2-CD1 3.61Å; Y36-F140 HydrophobicContact CE2-CE1 4.29Å; Y36-F140 AromaticContact CE2-CG 3.87Å; Y36-F140 HydrophobicContact CE2-CG 3.87Å; Y36-F140 WeakPolarHBondContact OH-CB 3.31Å; F67-F140 HydrophobicContact CD1-CE1 4.12Å; F67-F140 HydrophobicContact CE1-CE1 4.14Å; L122-F140 HydrophobicContact CD1-CB 3.86Å; L127-F140 HydrophobicContact CD2-CD2 4.26Å; L127-F140 HydrophobicContact CD2-CE2 4.43Å; W131-F140 HydrophobicContact CE3-CD2 4.11Å; W131-F140 AromaticContact CH2-CD2 3.17Å; W131-F140 HydrophobicContact CH2-CD2 3.17Å; W131-F140 AromaticContact CH2-CE2 3.23Å; W131-F140 HydrophobicContact CH2-CE2 3.23Å; W131-F140 AromaticContact CH2-CG 3.98Å; W131-F140 HydrophobicContact CH2-CG 3.98Å; W131-F140 HydrophobicContact CH2-CZ 4.13Å; W131-F140 HydrophobicContact CZ2-CD2 4.45Å; W131-F140 HydrophobicContact CZ2-CE2 4.31Å; W131-F140 HydrophobicContact CZ3-CB 3.77Å; W131-F140 AromaticContact CZ3-CD2 2.95Å; W131-F140 HydrophobicContact CZ3-CD2 2.95Å; W131-F140 AromaticContact CZ3-CE2 3.6Å; W131-F140 HydrophobicContact CZ3-CE2 3.6Å; W131-F140 AromaticContact CZ3-CG 3.56Å; W131-F140 HydrophobicContact CZ3-CG 3.56Å; F140-K142 PolarHBondContact O-N 3.13Å; F140-P157 HydrophobicContact CD1-CG 3.57Å; F140-P157 HydrophobicContact CE1-CG 3.67Å; F140-P157 HydrophobicContact CG-CG 4.19Å; F140-P157 HydrophobicContact CZ-CG 4.33Å |
| 141 | A | 87.3 | Confident | 79.2 | Confident | 24 Ų | 24 | 77.8 Ų | 77.8 | 20% | 0.198 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 134.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y36 L122 D143 L144 Y147 Y154 | Y36-A141 WeakPolarHBondContact CE1-O 3.45Å; Y36-A141 PolarHBondContact OH-N 3.29Å; Y36-A141 PolarHBondContact OH-O 2.75Å; L122-A141 WeakPolarHBondContact CD1-O 3.1Å; A141-D143 PolarHBondContact O-N 3.15Å; A141-L144 HydrophobicContact CB-CD2 4.34Å; A141-Y147 HydrophobicContact CB-CE2 3.96Å; A141-Y154 HydrophobicContact CB-CE2 4.06Å |
| 142 | K | 87.7 | Confident | 80 | Confident | 180 Ų | 180 | 82.4 Ų | 82.4 | 78% | 0.783 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -63.1 | -29 | 179.7 | -64.8 | -179 | -179.8 | 179 | 0 | 112.5 | L122 F140 | L122-K142 WeakPolarHBondContact CB-O 3.38Å; L122-K142 PolarHBondContact N-O 2.7Å; F140-K142 PolarHBondContact O-N 3.13Å |
| 143 | D | 90.8 | Very high | 80.7 | Confident | 63 Ų | 63 | 79.8 Ų | 79.8 | 34% | 0.337 | 44% | 0.444 | S | S | . | . | B | Isolated β-bridge | trans | -144.3 | 133 | -179 | -174.8 | 3.3 | 0 | 0 | 0 | 109.3 | A141 G145 | A141-D143 PolarHBondContact O-N 3.15Å; D143-G145 PolarHBondContact OD1-N 3.43Å |
| 144 | L | 92.8 | Very high | 81.5 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -89 | -6.1 | 175.5 | -68.1 | 176 | 0 | 0 | 0 | 113.5 | Y36 A40 L44 L120 A141 Y147 V148 Y154 | Y36-L144 HydrophobicContact CD1-CD1 3.52Å; Y36-L144 HydrophobicContact CD1-CG 4.01Å; Y36-L144 HydrophobicContact CD2-CD1 4.14Å; Y36-L144 HydrophobicContact CE1-CD1 3.57Å; Y36-L144 HydrophobicContact CE1-CD2 4.09Å; Y36-L144 HydrophobicContact CE1-CG 3.56Å; Y36-L144 HydrophobicContact CE2-CD1 4.16Å; Y36-L144 HydrophobicContact CE2-CD2 4.5Å; Y36-L144 HydrophobicContact CG-CD1 3.8Å; A40-L144 HydrophobicContact CB-CD1 3.98Å; L44-L144 HydrophobicContact CD1-CD2 4.48Å; L44-L144 HydrophobicContact CD2-CD1 4.3Å; L44-L144 HydrophobicContact CD2-CD2 4.2Å; L120-L144 HydrophobicContact CB-CB 4.3Å; L120-L144 PolarHBondContact O-N 3.08Å; A141-L144 HydrophobicContact CB-CD2 4.34Å; L144-Y147 HydrophobicContact CD2-CD2 4.04Å; L144-Y147 HydrophobicContact CD2-CE2 4.49Å; L144-Y147 PolarHBondContact O-N 3.14Å; L144-V148 HydrophobicContact CB-CG2 4.17Å; L144-V148 WeakPolarHBondContact O-CG2 3.34Å; L144-V148 PolarHBondContact O-N 3.09Å; L144-Y154 HydrophobicContact CD2-CD2 3.74Å; L144-Y154 HydrophobicContact CD2-CE2 3.4Å; L144-Y154 VanDerWaalsContact CD2-CE2 3.4Å |
| 145 | G | 92.9 | Very high | 82.3 | Confident | 5 Ų | 5 | 77.9 Ų | 77.9 | 5% | 0.052 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -46 | -48.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | D143 Y147 V148 L149 | D143-G145 PolarHBondContact OD1-N 3.43Å; G145-Y147 PolarHBondContact O-N 3.05Å; G145-V148 PolarHBondContact O-N 3.23Å; G145-L149 WeakPolarHBondContact O-CA 3.48Å; G145-L149 WeakPolarHBondContact O-CB 3.37Å; G145-L149 VanDerWaalsContact O-CG 3.3Å; G145-L149 WeakPolarHBondContact O-CG 3.36Å; G145-L149 PolarHBondContact O-N 2.93Å |
| 146 | P | 92.3 | Very high | 82.9 | Confident | 49 Ų | 49 | 77.1 Ų | 77.1 | 32% | 0.318 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.5 | -29.1 | 178.1 | -26.5 | 36.2 | 0 | 0 | 0 | 114.2 | H150 R152 | P146-H150 VanDerWaalsContact O-CB 3.31Å; P146-H150 WeakPolarHBondContact O-CB 3.41Å; P146-R152 WeakPolarHBondContact O-CB 3.37Å; P146-R152 WeakPolarHBondContact O-CG 3.46Å; P146-R152 PolarHBondContact O-N 3.47Å |
| 147 | Y | 92.4 | Very high | 83.5 | Confident | 65 Ų | 65 | 74.7 Ų | 74.7 | 26% | 0.255 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -90.1 | -39.4 | -177.6 | -48.6 | -80.8 | 0 | 0 | 0 | 111.7 | A141 L144 G145 G151 R152 P153 Y154 | A141-Y147 HydrophobicContact CB-CE2 3.96Å; L144-Y147 HydrophobicContact CD2-CD2 4.04Å; L144-Y147 HydrophobicContact CD2-CE2 4.49Å; L144-Y147 PolarHBondContact O-N 3.14Å; G145-Y147 PolarHBondContact O-N 3.05Å; Y147-G151 VanDerWaalsContact O-CA 3.27Å; Y147-G151 WeakPolarHBondContact O-CA 3.3Å; Y147-G151 PolarHBondContact O-N 3.02Å; Y147-R152 WeakPolarHBondContact CA-O 3.45Å; Y147-R152 HydrophobicContact CD1-CB 4Å; Y147-R152 WeakPolarHBondContact CD1-O 3.42Å; Y147-P153 WeakPolarHBondContact CD1-O 3.5Å; Y147-P153 WeakPolarHBondContact CE1-O 3.49Å; Y147-Y154 HydrophobicContact CD1-CD2 4.08Å; Y147-Y154 HydrophobicContact CD1-CG 4.42Å; Y147-Y154 AromaticContact CD2-CD2 3.79Å; Y147-Y154 HydrophobicContact CD2-CD2 3.79Å; Y147-Y154 HydrophobicContact CE1-CD2 4.13Å; Y147-Y154 AromaticContact CE2-CD2 3.85Å; Y147-Y154 HydrophobicContact CE2-CD2 3.85Å; Y147-Y154 HydrophobicContact CE2-CE2 4.41Å; Y147-Y154 AromaticContact CG-CD2 3.9Å; Y147-Y154 HydrophobicContact CG-CD2 3.9Å; Y147-Y154 HydrophobicContact CG-CG 4.38Å |
| 148 | V | 93.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -79.4 | -47.2 | -178.2 | 179 | 0 | 0 | 0 | 0 | 111.4 | A43 L44 Q47 I115 L120 L144 G145 | A43-V148 HydrophobicContact CB-CG1 3.81Å; A43-V148 HydrophobicContact CB-CG2 4.46Å; L44-V148 HydrophobicContact CB-CG2 4.14Å; L44-V148 HydrophobicContact CD1-CG2 4.11Å; Q47-V148 HydrophobicContact CG-CG1 4.05Å; Q47-V148 WeakPolarHBondContact CG-O 3.3Å; Q47-V148 PolarHBondContact NE2-O 3.19Å; I115-V148 HydrophobicContact CD1-CG1 3.59Å; L120-V148 HydrophobicContact CD1-CB 4.01Å; L120-V148 HydrophobicContact CD1-CG1 4.18Å; L120-V148 HydrophobicContact CD1-CG2 4.46Å; L120-V148 HydrophobicContact CD2-CB 4.36Å; L120-V148 HydrophobicContact CD2-CG1 4.28Å; L120-V148 HydrophobicContact CD2-CG2 4.05Å; L144-V148 HydrophobicContact CB-CG2 4.17Å; L144-V148 WeakPolarHBondContact O-CG2 3.34Å; L144-V148 PolarHBondContact O-N 3.09Å; G145-V148 PolarHBondContact O-N 3.23Å |
| 149 | L | 92.3 | Very high | 83.5 | Confident | 76 Ų | 76 | 69.9 Ų | 69.9 | 40% | 0.398 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -41.2 | -174 | -47 | 179.4 | 0 | 0 | 0 | 111.5 | V112 I115 L120 G145 | V112-L149 HydrophobicContact CG1-CB 4.16Å; V112-L149 HydrophobicContact CG1-CD2 3.31Å; V112-L149 HydrophobicContact CG1-CG 4.32Å; I115-L149 HydrophobicContact CD1-CD2 4.48Å; L120-L149 HydrophobicContact CD1-CD1 4.46Å; L120-L149 HydrophobicContact CD1-CD2 3.9Å; L120-L149 HydrophobicContact CD1-CG 4.08Å; G145-L149 WeakPolarHBondContact O-CA 3.48Å; G145-L149 WeakPolarHBondContact O-CB 3.37Å; G145-L149 VanDerWaalsContact O-CG 3.3Å; G145-L149 WeakPolarHBondContact O-CG 3.36Å; G145-L149 PolarHBondContact O-N 2.93Å |
| 150 | H | 88.1 | Confident | 82.7 | Confident | 139 Ų | 139 | 73.1 Ų | 73.1 | 64% | 0.644 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -101.4 | 0.2 | -175.4 | -49.8 | 79.1 | 0 | 0 | 0 | 113.5 | P146 R152 | P146-H150 VanDerWaalsContact O-CB 3.31Å; P146-H150 WeakPolarHBondContact O-CB 3.41Å; H150-R152 HydrophobicContact CB-CG 4.44Å; H150-R152 PolarHBondContact O-N 3.33Å |
| 151 | G | 83.6 | Confident | 81.1 | Confident | 34 Ų | 34 | 77.2 Ų | 77.2 | 35% | 0.351 | 42% | 0.417 | S | S | . | . | trans | 67.8 | 18.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y147 | Y147-G151 VanDerWaalsContact O-CA 3.27Å; Y147-G151 WeakPolarHBondContact O-CA 3.3Å; Y147-G151 PolarHBondContact O-N 3.02Å | ||
| 152 | R | 87.4 | Confident | 79.6 | Confident | 164 Ų | 164 | 81.5 Ų | 81.5 | 62% | 0.619 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 146.7 | 176.3 | -64.6 | -172.6 | 179.2 | -160.9 | 0.1 | 110.5 | P146 Y147 H150 Y154 | P146-R152 WeakPolarHBondContact O-CB 3.37Å; P146-R152 WeakPolarHBondContact O-CG 3.46Å; P146-R152 PolarHBondContact O-N 3.47Å; Y147-R152 WeakPolarHBondContact CA-O 3.45Å; Y147-R152 HydrophobicContact CD1-CB 4Å; Y147-R152 WeakPolarHBondContact CD1-O 3.42Å; H150-R152 HydrophobicContact CB-CG 4.44Å; H150-R152 PolarHBondContact O-N 3.33Å; R152-Y154 PolarHBondContact O-N 3.3Å |
| 153 | P | 86.2 | Confident | 77.9 | Confident | 119 Ų | 119 | 78.7 Ų | 78.7 | 77% | 0.773 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 124.6 | 177.5 | 26.2 | -33.2 | 0 | 0 | 0 | 110.5 | Y147 | Y147-P153 WeakPolarHBondContact CD1-O 3.5Å; Y147-P153 WeakPolarHBondContact CE1-O 3.49Å |
| 154 | Y | 87.6 | Confident | 76 | Confident | 27 Ų | 27 | 80.9 Ų | 80.9 | 11% | 0.106 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -91.3 | 127.8 | 174.1 | 178.5 | -99.9 | 0 | 0 | 0 | 110.8 | Y36 L44 V66 A141 L144 Y147 R152 P156 | Y36-Y154 PolarHBondContact OH-OH 3.38Å; L44-Y154 HydrophobicContact CD1-CD1 4.48Å; L44-Y154 HydrophobicContact CD1-CG 4.03Å; L44-Y154 HydrophobicContact CD2-CD1 3.62Å; L44-Y154 HydrophobicContact CD2-CD2 4.44Å; L44-Y154 HydrophobicContact CD2-CE1 3.83Å; L44-Y154 HydrophobicContact CD2-CG 3.93Å; L44-Y154 HydrophobicContact CG-CD1 4.46Å; L44-Y154 HydrophobicContact CG-CG 4.48Å; V66-Y154 HydrophobicContact CG1-CD1 4.3Å; V66-Y154 HydrophobicContact CG1-CE1 4.02Å; A141-Y154 HydrophobicContact CB-CE2 4.06Å; L144-Y154 HydrophobicContact CD2-CD2 3.74Å; L144-Y154 HydrophobicContact CD2-CE2 3.4Å; L144-Y154 VanDerWaalsContact CD2-CE2 3.4Å; Y147-Y154 HydrophobicContact CD1-CD2 4.08Å; Y147-Y154 HydrophobicContact CD1-CG 4.42Å; Y147-Y154 AromaticContact CD2-CD2 3.79Å; Y147-Y154 HydrophobicContact CD2-CD2 3.79Å; Y147-Y154 HydrophobicContact CE1-CD2 4.13Å; Y147-Y154 AromaticContact CE2-CD2 3.85Å; Y147-Y154 HydrophobicContact CE2-CD2 3.85Å; Y147-Y154 HydrophobicContact CE2-CE2 4.41Å; Y147-Y154 AromaticContact CG-CD2 3.9Å; Y147-Y154 HydrophobicContact CG-CD2 3.9Å; Y147-Y154 HydrophobicContact CG-CG 4.38Å; R152-Y154 PolarHBondContact O-N 3.3Å; Y154-P156 HydrophobicContact CD1-CG 4.22Å; Y154-P156 HydrophobicContact CE1-CB 4.24Å; Y154-P156 HydrophobicContact CE1-CG 3.94Å |
| 155 | R | 82.8 | Confident | 74.2 | Confident | 190 Ų | 190 | 90.7 Ų | 90.7 | 72% | 0.717 | 51% | 0.509 | S | S | * | . | trans | -110.6 | 114.8 | 173.6 | -165.7 | 172.2 | -173.6 | 141.3 | -0.3 | 109.2 | ||||
| 156 | P | 73.4 | Confident | 72.6 | Confident | 36 Ų | 36 | 92.5 Ų | 92.5 | 23% | 0.234 | 53% | 0.527 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 147.6 | 175.3 | -20.4 | 31.7 | 0 | 0 | 0 | 110.8 | V66 Y154 S158 | V66-P156 HydrophobicContact CG1-CG 3.88Å; Y154-P156 HydrophobicContact CD1-CG 4.22Å; Y154-P156 HydrophobicContact CE1-CB 4.24Å; Y154-P156 HydrophobicContact CE1-CG 3.94Å; P156-S158 PolarHBondContact O-N 3.33Å; P156-S158 VanDerWaalsContact O-N 3.11Å |
| 157 | P | 69.8 | Low | 70.9 | Confident | 38 Ų | 38 | 100 Ų | 100 | 25% | 0.247 | 56% | 0.556 | C | S | . | * | P | Polyproline II helix | trans | -60.5 | 118 | 170.5 | 22.3 | -29.1 | 0 | 0 | 0 | 109.2 | G138 F140 | G138-P157 WeakPolarHBondContact O-CB 3.44Å; F140-P157 HydrophobicContact CD1-CG 3.57Å; F140-P157 HydrophobicContact CE1-CG 3.67Å; F140-P157 HydrophobicContact CG-CG 4.19Å; F140-P157 HydrophobicContact CZ-CG 4.33Å |
| 158 | S | 59.6 | Low | 69.4 | Low | 91 Ų | 91 | 99.8 Ų | 99.8 | 64% | 0.636 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -71 | 142.6 | 171.3 | 52.6 | 0 | 0 | 0 | 0 | 109.2 | P156 | P156-S158 PolarHBondContact O-N 3.33Å; P156-S158 VanDerWaalsContact O-N 3.11Å |
| 159 | P | 58.3 | Low | 67.9 | Low | 97 Ų | 97 | 105.7 Ų | 105.7 | 63% | 0.63 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 142.4 | 166.8 | 22.8 | -30.5 | 0 | 0 | 0 | 109 | ||
| 160 | P | 54.8 | Low | 66.1 | Low | 113 Ų | 113 | 109.6 Ų | 109.6 | 73% | 0.734 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 141.1 | 175.8 | 23.7 | -31.8 | 0 | 0 | 0 | 108.7 | ||
| 161 | P | 50.2 | Low | 64.6 | Low | 111 Ų | 111 | 107.9 Ų | 107.9 | 72% | 0.721 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 147.3 | 169.1 | 25.3 | -32.5 | 0 | 0 | 0 | 108.4 | ||
| 162 | P | 54.3 | Low | 63.4 | Low | 114 Ų | 114 | 113.5 Ų | 113.5 | 74% | 0.74 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 139.9 | 171.5 | 24.1 | -32.9 | 0 | 0 | 0 | 107.9 | S164 | P162-S164 PolarHBondContact O-N 3.11Š|
| 163 | P | 53 | Low | 62.1 | Low | 122 Ų | 122 | 112.6 Ų | 112.6 | 79% | 0.792 | 64% | 0.639 | S | S | * | * | trans | -52.4 | 115.1 | 174.9 | 22.1 | -30.7 | 0 | 0 | 0 | 106.5 | E165 | P163-E165 PolarHBondContact O-N 2.95Š| ||
| 164 | S | 51.3 | Low | 59.9 | Low | 109 Ų | 109 | 110.4 Ų | 110.4 | 76% | 0.762 | 64% | 0.638 | S | S | * | * | trans | -54.5 | 120.8 | 169.5 | 177.3 | 0 | 0 | 0 | 0 | 105.1 | P162 G166 | P162-S164 PolarHBondContact O-N 3.11Å; S164-G166 PolarHBondContact O-N 3.2Å | ||
| 165 | E | 54.3 | Low | 57.7 | Low | 205 Ų | 205 | 112.4 Ų | 112.4 | 96% | 0.958 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -63.6 | 73.2 | 165.8 | -73.6 | -174.2 | 157.3 | 0 | 0 | 107.6 | P163 | P163-E165 PolarHBondContact O-N 2.95Š|
| 166 | G | 59.6 | Low | 55.6 | Low | 43 Ų | 43 | 109.6 Ų | 109.6 | 44% | 0.443 | 68% | 0.677 | S | S | . | * | trans | -136 | 27.3 | -164.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S164 | S164-G166 PolarHBondContact O-N 3.2Š| ||
| 167 | F | 57.2 | Low | 53.8 | Low | 207 Ų | 207 | 111 Ų | 111 | 91% | 0.908 | 70% | 0.698 | S | S | * | * | trans | -148.9 | 84.1 | 155.6 | -89.1 | -78.9 | 0 | 0 | 0 | 107.1 | I169 | F167-I169 PolarHBondContact O-N 3.21Š| ||
| 168 | S | 59.5 | Low | 52.1 | Low | 60 Ų | 60 | 118.9 Ų | 118.9 | 42% | 0.42 | 73% | 0.731 | S | S | . | * | trans | -82.8 | 110 | 170 | -156.4 | 0 | 0 | 0 | 0 | 108.2 | K170 S171 | S168-K170 PolarHBondContact O-N 2.93Å; S168-K170 WeakPolarHBondContact OG-CD 3.4Å; S168-K170 WeakPolarHBondContact OG-CE 3.34Å; S168-K170 WeakPolarHBondContact OG-CG 3.12Å; S168-S171 PolarHBondContact O-N 3.06Å | ||
| 169 | I | 62.1 | Low | 50.7 | Low | 124 Ų | 124 | 118.2 Ų | 118.2 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -57 | -16.6 | 178.7 | -58.3 | 165.5 | 0 | 0 | 0 | 111.5 | F167 S171 L172 L173 | F167-I169 PolarHBondContact O-N 3.21Å; I169-S171 PolarHBondContact O-N 3.34Å; I169-L172 PolarHBondContact O-N 3.05Å; I169-L173 HydrophobicContact CG2-CD1 4.36Å |
| 170 | K | 55.1 | Low | 49.8 | Very low | 159 Ų | 159 | 118.2 Ų | 118.2 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -58.8 | -23.6 | 173.1 | 73.7 | -165 | 176.1 | -173.7 | 0 | 114 | S168 L172 | S168-K170 PolarHBondContact O-N 2.93Å; S168-K170 WeakPolarHBondContact OG-CD 3.4Å; S168-K170 WeakPolarHBondContact OG-CE 3.34Å; S168-K170 WeakPolarHBondContact OG-CG 3.12Å; K170-L172 VanDerWaalsContact C-N 3.31Å |
| 171 | S | 56.9 | Low | 49 | Very low | 103 Ų | 103 | 118.5 Ų | 118.5 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -78.2 | -12.2 | 173.9 | -64.1 | 0 | 0 | 0 | 0 | 113.9 | S168 I169 | S168-S171 PolarHBondContact O-N 3.06Å; I169-S171 PolarHBondContact O-N 3.34Å |
| 172 | L | 57.7 | Low | 48.4 | Very low | 152 Ų | 152 | 125 Ų | 125 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -12.1 | 174.7 | -66.8 | 173.6 | 0 | 0 | 0 | 113.1 | I169 K170 | I169-L172 PolarHBondContact O-N 3.05Å; K170-L172 VanDerWaalsContact C-N 3.31Å |
| 173 | L | 59.7 | Low | 47.7 | Very low | 144 Ų | 144 | 125.4 Ų | 125.4 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -110.5 | 9 | 178.7 | -91.4 | 88.9 | 0 | 0 | 0 | 113.8 | I169 G175 | I169-L173 HydrophobicContact CG2-CD1 4.36Å; L173-G175 PolarHBondContact O-N 3.03Å; L173-G175 VanDerWaalsContact O-N 3.15Å |
| 174 | G | 41.8 | Very low | 46.7 | Very low | 74 Ų | 74 | 122.7 Ų | 122.7 | 76% | 0.763 | 76% | 0.756 | S | S | * | * | trans | -83.9 | 79.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 175 | G | 40.1 | Very low | 45.8 | Very low | 69 Ų | 69 | 126.3 Ų | 126.3 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | -111.2 | 148.3 | 169 | 0 | 0 | 0 | 0 | 0 | 112.1 | L173 | L173-G175 PolarHBondContact O-N 3.03Å; L173-G175 VanDerWaalsContact O-N 3.15Å | ||
| 176 | S | 38.5 | Very low | 44.8 | Very low | 131 Ų | 131 | 121.1 Ų | 121.1 | 92% | 0.916 | 76% | 0.758 | S | S | * | * | trans | 92.4 | 86.4 | 174.4 | -158.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 177 | G | 36.8 | Very low | 43.9 | Very low | 66 Ų | 66 | 124.5 Ų | 124.5 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | 114.5 | 137.1 | 95.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 178 | E | 33.7 | Very low | 42.6 | Very low | 203 Ų | 203 | 123.2 Ų | 123.2 | 95% | 0.949 | 77% | 0.769 | S | S | * | * | cis | -159.9 | 157 | 27.6 | -75.3 | 157.3 | 84.7 | 0 | 0 | 108.3 | ||||
| 179 | G | 30.5 | Very low | 41.3 | Very low | 76 Ų | 76 | 125.2 Ų | 125.2 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | trans | 106.1 | 98.5 | 141.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 180 | A | 38.7 | Very low | 40.1 | Very low | 97 Ų | 97 | 124.7 Ų | 124.7 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | 91.4 | 157.3 | 138.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 181 | P | 39.1 | Very low | 39.5 | Very low | 120 Ų | 120 | 123 Ų | 123 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | -119.5 | 148.8 | -108.6 | 16.9 | 6.6 | 0 | 0 | 0 | 113.9 | |||||
| 182 | W | 35.7 | Very low | 38.6 | Very low | 246 Ų | 246 | 124.1 Ų | 124.1 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | trans | -78 | 138.9 | 166.4 | -66.8 | 85.6 | 0 | 0 | 0 | 110.6 | ||||
| 183 | P | 41.2 | Very low | 37.9 | Very low | 123 Ų | 123 | 122.7 Ų | 122.7 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | trans | -81.6 | 114.6 | 155.4 | 23.5 | -12.8 | 0 | 0 | 0 | 108.7 | ||||
| 184 | G | 31.8 | Very low | 36.8 | Very low | 66 Ų | 66 | 120.6 Ų | 120.6 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | trans | -76.8 | 144 | 165 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 185 | L | 31.4 | Very low | 36.2 | Very low | 184 Ų | 184 | 120.7 Ų | 120.7 | 96% | 0.963 | 80% | 0.802 | S | S | * | * | trans | -133.8 | 130.9 | 141.9 | -79.4 | 177.1 | 0 | 0 | 0 | 107.7 | ||||
| 186 | A | 33.8 | Very low | 35.9 | Very low | 97 Ų | 97 | 124.9 Ų | 124.9 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | trans | -98.9 | -161 | -166.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 187 | P | 41.8 | Very low | 35.4 | Very low | 113 Ų | 113 | 122.3 Ų | 122.3 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | -112.2 | 154.8 | -127.2 | 33.9 | -15.1 | 0 | 0 | 0 | 113.3 | |||||
| 188 | Q | 29.8 | Very low | 35.2 | Very low | 181 Ų | 181 | 126.9 Ų | 126.9 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | -148.2 | 111.2 | 165.1 | -73.4 | -69 | 25.7 | 0 | 0 | 112.9 | ||||
| 189 | S | 31.1 | Very low | 35 | Very low | 101 Ų | 101 | 122.6 Ų | 122.6 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | trans | 49.4 | 122.8 | 131.8 | 62.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 190 | S | 38 | Very low | 35.1 | Very low | 113 Ų | 113 | 122.4 Ų | 122.4 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | -54.3 | 161.8 | 150.5 | -51.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 191 | P | 40.9 | Very low | 34.8 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | -141.5 | 149.1 | 113.1 | 30.7 | -14 | 0 | 0 | 0 | 114.9 | |||||
| 192 | V | 37.8 | Very low | 34.4 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | trans | -76.2 | 149.6 | 160.4 | 174 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 193 | P | 44.2 | Very low | 34.3 | Very low | 121 Ų | 121 | 122.8 Ų | 122.8 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | -136.3 | 142 | 124.3 | 29.9 | -14.3 | 0 | 0 | 0 | 113.2 | |||||
| 194 | A | 35.7 | Very low | 34.2 | Very low | 101 Ų | 101 | 122.1 Ų | 122.1 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -78.3 | 141.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 195 | G | 30.6 | Very low | 34.4 | Very low | 76 Ų | 76 | 124.9 Ų | 124.9 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | trans | -177.4 | 105 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 196 | T | 33.5 | Very low | 34.6 | Very low | 156 Ų | 156 | 121.7 Ų | 121.7 | 96% | 0.957 | 80% | 0.796 | S | S | * | * | trans | -53.6 | 138.1 | 179 | -40.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 197 | G | 27.8 | Very low | 35.3 | Very low | 78 Ų | 78 | 122.1 Ų | 122.1 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -176 | 113.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 198 | N | 31.3 | Very low | 35.1 | Very low | 161 Ų | 161 | 122.5 Ų | 122.5 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -93.2 | 130.7 | -169.9 | -171.9 | 19.8 | 0 | 0 | 0 | 110.6 | ||||
| 199 | S | 31.2 | Very low | 35.4 | Very low | 113 Ų | 113 | 121.2 Ų | 121.2 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | 163.5 | 113.3 | 139.6 | 58.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 200 | G | 32.2 | Very low | 35.5 | Very low | 72 Ų | 72 | 122.5 Ų | 122.5 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | 60.5 | 96.7 | 131.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 201 | E | 31.7 | Very low | 35.3 | Very low | 189 Ų | 189 | 122.3 Ų | 122.3 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -177.5 | 108.3 | 130.8 | 51.2 | -167.2 | 120.5 | 0 | 0 | 110.2 | A203 | E201-A203 PolarHBondContact O-N 2.88Š| ||
| 202 | E | 30.4 | Very low | 35 | Very low | 195 Ų | 195 | 120.9 Ų | 120.9 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | -87.8 | 91 | 175.7 | -168.8 | 179.5 | 124.8 | 0 | 0 | 109 | ||||
| 203 | A | 33.8 | Very low | 35 | Very low | 87 Ų | 87 | 124 Ų | 124 | 72% | 0.719 | 80% | 0.795 | S | S | * | * | trans | -98.2 | 113 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110 | E201 | E201-A203 PolarHBondContact O-N 2.88Š| ||
| 204 | V | 39.8 | Very low | 34.4 | Very low | 109 Ų | 109 | 128 Ų | 128 | 66% | 0.661 | 79% | 0.794 | S | S | * | * | trans | -62.1 | 127.9 | 176.1 | 176.5 | 0 | 0 | 0 | 0 | 111.1 | T206 | V204-T206 PolarHBondContact O-N 3.14Š| ||
| 205 | P | 36 | Very low | 34.2 | Very low | 124 Ų | 124 | 128 Ų | 128 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | trans | -88.5 | 98.6 | 164.4 | 30.5 | -24.4 | 0 | 0 | 0 | 109.8 | ||||
| 206 | T | 36.1 | Very low | 34.1 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 128.6 | 164.7 | -48.7 | 0 | 0 | 0 | 0 | 110.2 | V204 | V204-T206 PolarHBondContact O-N 3.14Š|
| 207 | P | 48.6 | Very low | 34.5 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 141.9 | 170.2 | 29.1 | -32.1 | 0 | 0 | 0 | 110.2 | L209 | P207-L209 PolarHBondContact O-N 3.44Š|
| 208 | P | 37.1 | Very low | 34.8 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 128 | 179 | 28.9 | -31.3 | 0 | 0 | 0 | 110.2 | P210 | P208-P210 WeakPolarHBondContact O-CD 3.24Š|
| 209 | L | 35.3 | Very low | 34.7 | Very low | 153 Ų | 153 | 131.6 Ų | 131.6 | 80% | 0.801 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -54 | 131.1 | 160.6 | -102.5 | 98.9 | 0 | 0 | 0 | 109.8 | P207 S211 | P207-L209 PolarHBondContact O-N 3.44Å; L209-S211 VanDerWaalsContact C-N 3.35Å; L209-S211 PolarHBondContact O-N 2.94Å |
| 210 | P | 32.6 | Very low | 34.8 | Very low | 128 Ų | 128 | 132 Ų | 132 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | trans | -85.2 | 87.6 | 152 | 31.3 | -25.7 | 0 | 0 | 0 | 108.1 | P208 S212 | P208-P210 WeakPolarHBondContact O-CD 3.24Å; P210-S212 PolarHBondContact O-N 2.94Å | ||
| 211 | S | 33.8 | Very low | 34.9 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | -74.7 | 99.2 | 158.3 | -157 | 0 | 0 | 0 | 0 | 107.7 | L209 | L209-S211 VanDerWaalsContact C-N 3.35Å; L209-S211 PolarHBondContact O-N 2.94Å | ||
| 212 | S | 35 | Very low | 35.1 | Very low | 92 Ų | 92 | 133.2 Ų | 133.2 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | trans | -155.5 | 97 | 158.8 | -175.7 | 0 | 0 | 0 | 0 | 107.2 | P210 R214 | P210-S212 PolarHBondContact O-N 2.94Å; S212-R214 PolarHBondContact O-N 3.1Å | ||
| 213 | E | 37.4 | Very low | 35.4 | Very low | 195 Ų | 195 | 129.7 Ų | 129.7 | 91% | 0.911 | 76% | 0.756 | S | S | * | * | trans | -60.8 | 77.5 | 157.4 | -73.1 | -172.4 | 102.5 | 0 | 0 | 108.7 | S215 | E213-S215 PolarHBondContact O-N 2.78Å; E213-S215 VanDerWaalsContact O-N 3.14Å | ||
| 214 | R | 32.3 | Very low | 35.3 | Very low | 203 Ų | 203 | 128.8 Ų | 128.8 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | trans | -79 | 97.4 | 165.8 | -161.2 | 177.7 | -118.7 | -107.4 | 4 | 105.9 | S212 L216 | S212-R214 PolarHBondContact O-N 3.1Å; R214-L216 PolarHBondContact O-N 2.6Å | ||
| 215 | S | 31.1 | Very low | 35.1 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -50.5 | 104.5 | 167 | -87.2 | 0 | 0 | 0 | 0 | 109.2 | E213 W217 | E213-S215 PolarHBondContact O-N 2.78Å; E213-S215 VanDerWaalsContact O-N 3.14Å; S215-W217 PolarHBondContact O-N 2.69Å; S215-W217 VanDerWaalsContact O-N 3.07Å | ||
| 216 | L | 29.8 | Very low | 34.9 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 61% | 0.613 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -78.1 | 17.8 | -172.3 | -84.8 | 167 | 0 | 0 | 0 | 114.1 | R214 | R214-L216 PolarHBondContact O-N 2.6Š|
| 217 | W | 40.3 | Very low | 34.6 | Very low | 169 Ų | 169 | 136.1 Ų | 136.1 | 64% | 0.64 | 77% | 0.774 | S | S | * | * | trans | -116 | 72.7 | 172.7 | -60.1 | 102 | 0 | 0 | 0 | 109.4 | S215 | S215-W217 PolarHBondContact O-N 2.69Å; S215-W217 VanDerWaalsContact O-N 3.07Å | ||
| 218 | S | 35.4 | Very low | 33.9 | Very low | 97 Ų | 97 | 137.5 Ų | 137.5 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | -144.5 | 75 | 170.6 | -66.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 219 | L | 28.3 | Very low | 33.6 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | trans | -148.9 | 95.3 | 158.2 | -75.7 | -177.3 | 0 | 0 | 0 | 109.6 | ||||
| 220 | C | 33.1 | Very low | 33.3 | Very low | 123 Ų | 123 | 137 Ų | 137 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | trans | -159.6 | 98.7 | 137.8 | -86.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 221 | P | 35.1 | Very low | 33.2 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 120.3 | 167 | -4.9 | 22.4 | 0 | 0 | 0 | 108.5 | ||
| 222 | L | 35.3 | Very low | 33 | Very low | 161 Ų | 161 | 140.9 Ų | 140.9 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 142.6 | 165.7 | -84.7 | 158.1 | 0 | 0 | 0 | 108.9 | G224 | L222-G224 PolarHBondContact O-N 3.28Š|
| 223 | P | 36.4 | Very low | 32.9 | Very low | 121 Ų | 121 | 143.9 Ų | 143.9 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 125.9 | -176.3 | -11.7 | 26.1 | 0 | 0 | 0 | 110.9 | ||
| 224 | G | 32.3 | Very low | 32.6 | Very low | 69 Ų | 69 | 143.7 Ų | 143.7 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 138.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L222 | L222-G224 PolarHBondContact O-N 3.28Š|
| 225 | P | 36.5 | Very low | 32.5 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -82 | 135.9 | 171.6 | 30.3 | -28.9 | 0 | 0 | 0 | 111 | ||
| 226 | T | 31.7 | Very low | 32.4 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -55 | 125.5 | 175.3 | -40.2 | 0 | 0 | 0 | 0 | 111.3 | ||
| 227 | R | 30.1 | Very low | 32.5 | Very low | 236 Ų | 236 | 138 Ų | 138 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -84 | 121.9 | 174.1 | -174 | 178.8 | -175.6 | 177.5 | 0.1 | 109 | ||
| 228 | V | 32 | Very low | 32.2 | Very low | 133 Ų | 133 | 137.3 Ų | 137.3 | 81% | 0.806 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 137.1 | 161 | 168.8 | 0 | 0 | 0 | 0 | 107.6 | ||
| 229 | E | 32.3 | Very low | 32.1 | Very low | 188 Ų | 188 | 136 Ų | 136 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -62 | 155.4 | 178 | -80.4 | 162.7 | 116.1 | 0 | 0 | 113.6 | ||
| 230 | G | 28.5 | Very low | 32.9 | Very low | 76 Ų | 76 | 134.7 Ų | 134.7 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | trans | 178.9 | 100.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 231 | E | 30.8 | Very low | 32.9 | Very low | 185 Ų | 185 | 134.2 Ų | 134.2 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -62.3 | 153.5 | -176.2 | -50.4 | 167.7 | 125.5 | 0 | 0 | 112 | ||||
| 232 | T | 29.4 | Very low | 32.6 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 83% | 0.834 | 82% | 0.821 | S | S | * | * | -178.1 | 157 | 95.4 | -51.1 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 233 | L | 33.1 | Very low | 32.4 | Very low | 154 Ų | 154 | 135.9 Ų | 135.9 | 81% | 0.806 | 82% | 0.824 | S | S | * | * | trans | -55.7 | 168.5 | -168.9 | -71.8 | 150.2 | 0 | 0 | 0 | 124 | ||||
| 234 | Q | 31.8 | Very low | 32.1 | Very low | 191 Ų | 191 | 135.9 Ų | 135.9 | 89% | 0.893 | 83% | 0.827 | S | S | * | * | trans | 86.7 | 134.9 | 152.9 | -61.4 | -136.1 | 47.7 | 0 | 0 | 118.5 | ||||
| 235 | G | 28.8 | Very low | 32.2 | Very low | 73 Ų | 73 | 138.5 Ų | 138.5 | 75% | 0.753 | 83% | 0.832 | S | S | * | * | cis | 161.2 | 131.7 | -0.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 236 | G | 30.1 | Very low | 32 | Very low | 79 Ų | 79 | 139.1 Ų | 139.1 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | trans | 84.6 | 152.6 | 161 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 237 | D | 32 | Very low | 32.2 | Very low | 150 Ų | 150 | 138.1 Ų | 138.1 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | cis | -167.8 | 147.4 | -24 | -144.2 | -21.3 | 0 | 0 | 0 | 108.2 | ||||
| 238 | I | 33.3 | Very low | 32.3 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 80% | 0.795 | 82% | 0.818 | S | S | * | * | trans | 48.1 | 120.7 | 161.6 | -33.9 | -171.6 | 0 | 0 | 0 | 120.1 | ||||
| 239 | G | 34.1 | Very low | 32.2 | Very low | 70 Ų | 70 | 135.1 Ų | 135.1 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | 116.9 | 148.8 | 50 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 240 | P | 45 | Very low | 32.3 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | cis | -140.4 | -177.7 | 31.7 | 40.4 | -18.1 | 0 | 0 | 0 | 117.6 | ||||
| 241 | S | 31.4 | Very low | 32.6 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | -66 | 155.1 | -171.4 | -50.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 242 | T | 30.2 | Very low | 32.6 | Very low | 146 Ų | 146 | 139 Ų | 139 | 90% | 0.896 | 81% | 0.812 | S | S | * | * | -176 | 134.1 | 116.1 | -62.8 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 243 | L | 31.4 | Very low | 32.7 | Very low | 173 Ų | 173 | 140.8 Ų | 140.8 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | trans | -93.4 | 136.3 | -171.5 | -76.9 | 149.7 | 0 | 0 | 0 | 113.5 | ||||
| 244 | S | 29.3 | Very low | 32.6 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -173.8 | 146.1 | 139.9 | -158.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 245 | P | 35.3 | Very low | 32.7 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | trans | -96.9 | 135.8 | -152.2 | 35.3 | -30.8 | 0 | 0 | 0 | 115.9 | ||||
| 246 | E | 31.7 | Very low | 32.7 | Very low | 143 Ų | 143 | 144.6 Ų | 144.6 | 67% | 0.668 | 81% | 0.813 | S | S | * | * | trans | -96.8 | 132.5 | 175.2 | -159.7 | -90.2 | 134.6 | 0 | 0 | 110.2 | R248 | E246-R248 PolarHBondContact O-N 3.09Å; E246-R248 VanDerWaalsContact O-N 3.09Å | ||
| 247 | P | 36.3 | Very low | 32.5 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | trans | -82.4 | 89.3 | 177.7 | 30.6 | -30.6 | 0 | 0 | 0 | 111.9 | A249 | P247-A249 PolarHBondContact O-N 3.48Š| ||
| 248 | R | 30.6 | Very low | 32.3 | Very low | 229 Ų | 229 | 144.3 Ų | 144.3 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | 24.9 | 83.9 | 152.6 | -73 | -174.4 | 179.4 | 164.4 | 0.9 | 116.1 | E246 | E246-R248 PolarHBondContact O-N 3.09Å; E246-R248 VanDerWaalsContact O-N 3.09Å | ||
| 249 | A | 30.7 | Very low | 32 | Very low | 77 Ų | 77 | 142 Ų | 142 | 64% | 0.636 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 136.6 | 148.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | P247 | P247-A249 PolarHBondContact O-N 3.48Š|
| 250 | W | 34.9 | Very low | 32.1 | Very low | 246 Ų | 246 | 144.8 Ų | 144.8 | 93% | 0.932 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 129.9 | 168.6 | -73.8 | 74.3 | 0 | 0 | 0 | 109.5 | ||
| 251 | P | 33.3 | Very low | 32.2 | Very low | 114 Ų | 114 | 144 Ų | 144 | 74% | 0.74 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 130.7 | 178.7 | 17.5 | -5.6 | 0 | 0 | 0 | 111.4 | ||
| 252 | L | 32.4 | Very low | 32.1 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | -127.7 | 97.3 | 160.8 | -74.9 | 178 | 0 | 0 | 0 | 107.9 | ||||
| 253 | H | 30.8 | Very low | 31.9 | Very low | 174 Ų | 174 | 139.2 Ų | 139.2 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | trans | -121.5 | 133.1 | 166 | -105.3 | -108.5 | 0 | 0 | 0 | 109.8 | ||||
| 254 | L | 30.3 | Very low | 32 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 68% | 0.681 | 81% | 0.808 | S | S | * | * | trans | 68.1 | 107.8 | 154.8 | -74 | 146.3 | 0 | 0 | 0 | 119.1 | ||||
| 255 | L | 34.1 | Very low | 32 | Very low | 188 Ų | 188 | 138.7 Ų | 138.7 | 98% | 0.984 | 80% | 0.804 | S | S | * | * | -133.4 | 99.3 | 129.7 | -131.9 | 83.6 | 0 | 0 | 0 | 109.3 | |||||
| 256 | Q | 30.1 | Very low | 31.7 | Very low | 179 Ų | 179 | 138.3 Ų | 138.3 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | -143.2 | 128.7 | 163.8 | -111.7 | 167.9 | 14.1 | 0 | 0 | 102.7 | ||||
| 257 | G | 26.1 | Very low | 31.5 | Very low | 70 Ų | 70 | 135.3 Ų | 135.3 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | cis | -175.6 | 178.1 | -4.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 258 | T | 26.4 | Very low | 31.2 | Very low | 153 Ų | 153 | 133.5 Ų | 133.5 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | trans | -150.6 | 127.9 | 158 | 55.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 259 | S | 27.4 | Very low | 31.6 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | trans | -116.8 | 142.1 | 176.8 | 48.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 260 | V | 35.4 | Very low | 31.7 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 77% | 0.77 | 83% | 0.827 | S | S | * | * | 135.9 | 160.8 | 114.6 | 178.7 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 261 | P | 48.1 | Very low | 31.6 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | cis | -129.3 | 167.3 | -15 | 24.2 | -2.5 | 0 | 0 | 0 | 117.5 | ||||
| 262 | G | 29.5 | Very low | 31.7 | Very low | 85 Ų | 85 | 130.6 Ų | 130.6 | 88% | 0.876 | 81% | 0.813 | S | S | * | * | trans | 81.4 | 138.3 | 140.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 263 | G | 26.8 | Very low | 31.9 | Very low | 73 Ų | 73 | 130.2 Ų | 130.2 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | cis | -175.8 | 158.1 | 0.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 264 | L | 32.2 | Very low | 32.1 | Very low | 174 Ų | 174 | 133.5 Ų | 133.5 | 91% | 0.911 | 82% | 0.817 | S | S | * | * | trans | 26.5 | 125.8 | 167.7 | -81.3 | 87.3 | 0 | 0 | 0 | 121.6 | ||||
| 265 | S | 29.3 | Very low | 32.3 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | 158.1 | 139.1 | 92.9 | -161.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 266 | S | 29.6 | Very low | 32.3 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | trans | 77.1 | 112.2 | 147.4 | -154.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 267 | G | 28.2 | Very low | 32.8 | Very low | 79 Ų | 79 | 127.8 Ų | 127.8 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | 101 | 118 | 117.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 268 | G | 30.1 | Very low | 33.5 | Very low | 80 Ų | 80 | 130.4 Ų | 130.4 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | 116.4 | 87.7 | 146.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | R270 | G268-R270 PolarHBondContact O-N 3.43Š| ||
| 269 | H | 38.3 | Very low | 34.3 | Very low | 200 Ų | 200 | 129.1 Ų | 129.1 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | trans | -64.8 | 121.9 | 157.1 | -64.6 | -77.3 | 0 | 0 | 0 | 109.6 | ||||
| 270 | R | 32.2 | Very low | 34.7 | Very low | 226 Ų | 226 | 129 Ų | 129 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -146.3 | 91.7 | 154.4 | -156.9 | 171.1 | 175.8 | 178.6 | -1.9 | 110.5 | G268 S272 | G268-R270 PolarHBondContact O-N 3.43Å; R270-S272 PolarHBondContact O-N 2.94Å | ||
| 271 | A | 33.2 | Very low | 34.6 | Very low | 91 Ų | 91 | 132.8 Ų | 132.8 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -58.8 | 126.3 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 272 | S | 35.7 | Very low | 34.4 | Very low | 89 Ų | 89 | 132.7 Ų | 132.7 | 62% | 0.622 | 79% | 0.792 | S | S | * | * | trans | -107.4 | 93.6 | 166.8 | -65.9 | 0 | 0 | 0 | 0 | 108.5 | R270 W274 | R270-S272 PolarHBondContact O-N 2.94Å; S272-W274 PolarHBondContact O-N 3.26Å | ||
| 273 | L | 35.8 | Very low | 35 | Very low | 163 Ų | 163 | 134.9 Ų | 134.9 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -55.3 | 115.7 | 149.6 | -81.7 | 123.7 | 0 | 0 | 0 | 108.2 | ||||
| 274 | W | 35.2 | Very low | 35.5 | Very low | 242 Ų | 242 | 137.5 Ų | 137.5 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | trans | -121.5 | 84.8 | 157.1 | -89.3 | 96.6 | 0 | 0 | 0 | 108.3 | S272 | S272-W274 PolarHBondContact O-N 3.26Š| ||
| 275 | G | 34.2 | Very low | 35.6 | Very low | 63 Ų | 63 | 139.7 Ų | 139.7 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | trans | -127.7 | 116.4 | 152.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 276 | Q | 35.3 | Very low | 35.9 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | 175.7 | 94.4 | 144.1 | -96.6 | 173.2 | 16.4 | 0 | 0 | 110.5 | ||||
| 277 | L | 40 | Very low | 36.6 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 71% | 0.712 | 78% | 0.784 | S | S | * | * | 43.8 | 147.8 | 126.5 | -81.3 | 146.7 | 0 | 0 | 0 | 121.1 | T279 | L277-T279 HydrophobicContact CD2-CG2 3.9Š| |||
| 278 | P | 41 | Very low | 37.5 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | -138.2 | 144.9 | 56.1 | 30.1 | -8.3 | 0 | 0 | 0 | 117.7 | |||||
| 279 | T | 44.1 | Very low | 37.9 | Very low | 126 Ų | 126 | 147.3 Ų | 147.3 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -79.2 | 119.9 | 166.6 | 43.9 | 0 | 0 | 0 | 0 | 111.2 | L277 | L277-T279 HydrophobicContact CD2-CG2 3.9Š| ||
| 280 | S | 35.9 | Very low | 38 | Very low | 106 Ų | 106 | 144.2 Ų | 144.2 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | -147.1 | 128.9 | 154 | 62.6 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 281 | Y | 32.7 | Very low | 38.5 | Very low | 205 Ų | 205 | 140.6 Ų | 140.6 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | cis | -167.6 | 131.3 | 48.8 | -151 | -107.5 | 0 | 0 | 0 | 108.1 | ||||
| 282 | L | 43.6 | Very low | 39 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 62% | 0.623 | 77% | 0.774 | S | S | * | * | trans | 46.6 | 134.3 | 156.2 | -57.5 | 175.4 | 0 | 0 | 0 | 123.2 | ||||
| 283 | P | 41.1 | Very low | 39.1 | Very low | 130 Ų | 130 | 145.3 Ų | 145.3 | 84% | 0.844 | 79% | 0.786 | S | S | * | * | -123.1 | 132.4 | 128.9 | 33.9 | -23.3 | 0 | 0 | 0 | 111.6 | |||||
| 284 | I | 37.3 | Very low | 39.4 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 66% | 0.662 | 78% | 0.781 | S | S | * | * | trans | -101.1 | 139 | 170.1 | -49.9 | -177.1 | 0 | 0 | 0 | 109.1 | ||||
| 285 | Y | 34.1 | Very low | 40.2 | Very low | 220 Ų | 220 | 136.2 Ų | 136.2 | 86% | 0.863 | 78% | 0.775 | S | S | * | * | trans | 93.4 | 98.1 | 166.9 | -79.2 | -76.5 | 0 | 0 | 0 | 118.8 | ||||
| 286 | T | 37.2 | Very low | 40.9 | Very low | 128 Ų | 128 | 138.9 Ų | 138.9 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | -93.1 | 145.9 | 149.8 | 47.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 287 | P | 44.6 | Very low | 41.3 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | -84.5 | 148 | 162.8 | 32.1 | -30.4 | 0 | 0 | 0 | 111.5 | V289 | P287-V289 PolarHBondContact O-N 3.33Š| ||
| 288 | N | 45.2 | Very low | 41.2 | Very low | 163 Ų | 163 | 136 Ų | 136 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | trans | -42.4 | 123.3 | -178.2 | -69.6 | -52.3 | 0 | 0 | 0 | 115.6 | ||||
| 289 | V | 40.3 | Very low | 40.9 | Very low | 132 Ų | 132 | 135.4 Ų | 135.4 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | trans | -143.4 | 114 | 149 | -175 | 0 | 0 | 0 | 0 | 108 | P287 | P287-V289 PolarHBondContact O-N 3.33Š| ||
| 290 | V | 38.8 | Very low | 40.4 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -79.2 | 126.4 | 172.1 | 166.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 291 | M | 43.6 | Very low | 40.9 | Very low | 150 Ų | 150 | 135.8 Ų | 135.8 | 74% | 0.739 | 79% | 0.786 | S | S | * | * | trans | -125.4 | 129.7 | 165.4 | -161.6 | 76.5 | 88.9 | 0 | 0 | 107.7 | ||||
| 292 | P | 43.2 | Very low | 41.5 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | trans | -85.8 | 121.3 | -179.9 | 30 | -26.9 | 0 | 0 | 0 | 110.8 | ||||
| 293 | L | 38.5 | Very low | 41.3 | Very low | 165 Ų | 165 | 135.4 Ų | 135.4 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -104.4 | 136.3 | 163.4 | -96.4 | 83.9 | 0 | 0 | 0 | 109.9 | ||||
| 294 | A | 42 | Very low | 41.6 | Very low | 91 Ų | 91 | 134.9 Ų | 134.9 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 154.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 295 | P | 52.3 | Low | 41.7 | Very low | 123 Ų | 123 | 135 Ų | 135 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 145.7 | -178.2 | 32.6 | -33.5 | 0 | 0 | 0 | 113.1 | ||
| 296 | P | 47.2 | Very low | 41.9 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 159.3 | 160.4 | 32.6 | -31 | 0 | 0 | 0 | 112 | ||
| 297 | P | 43.8 | Very low | 42.2 | Very low | 123 Ų | 123 | 132.1 Ų | 132.1 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 147.6 | -163.4 | 31.1 | -34.9 | 0 | 0 | 0 | 115.4 | ||
| 298 | T | 38.5 | Very low | 41.7 | Very low | 132 Ų | 132 | 131.6 Ų | 131.6 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -10.9 | 127.4 | 156.5 | 51.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 299 | S | 34 | Very low | 41.3 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | -179.6 | 120.1 | 114.9 | -130.3 | 0 | 0 | 0 | 0 | 111 | |||||
| 300 | C | 34.3 | Very low | 41.1 | Very low | 131 Ų | 131 | 127.4 Ų | 127.4 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | trans | -176.2 | 108.5 | 146.9 | -100.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 301 | P | 46.3 | Very low | 41.1 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | trans | -99.1 | 101.7 | 178 | 33.4 | -23.4 | 0 | 0 | 0 | 110 | ||||
| 302 | Q | 46.1 | Very low | 40.6 | Very low | 187 Ų | 187 | 135 Ų | 135 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | 167.2 | 96.4 | 143.9 | -119.5 | 126.2 | -13.7 | 0 | 0 | 110.9 | ||||
| 303 | C | 38.1 | Very low | 40.2 | Very low | 129 Ų | 129 | 131.2 Ų | 131.2 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | -154.4 | 135.2 | 151.9 | -83.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 304 | P | 48.3 | Very low | 40.3 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 166.4 | 177.7 | 33.1 | -33.4 | 0 | 0 | 0 | 112.4 | ||
| 305 | P | 40.3 | Very low | 40.1 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 126.9 | -154.6 | 31.7 | -32.6 | 0 | 0 | 0 | 112.7 | ||
| 306 | S | 36.3 | Very low | 39.6 | Very low | 117 Ų | 117 | 130 Ų | 130 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 120.5 | 162 | -171.7 | 0 | 0 | 0 | 0 | 108.6 | S308 | S306-S308 PolarHBondContact O-N 3.47Å; S306-S308 VanDerWaalsContact O-N 3.15Å |
| 307 | N | 43.9 | Very low | 39.3 | Very low | 169 Ų | 169 | 133.6 Ų | 133.6 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | trans | -59.1 | 110.2 | -178.7 | -121 | -6.8 | 0 | 0 | 0 | 110.6 | ||||
| 308 | S | 34.9 | Very low | 38.8 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -144.4 | 96.6 | 157.9 | -171.9 | 0 | 0 | 0 | 0 | 108.8 | S306 A310 | S306-S308 PolarHBondContact O-N 3.47Å; S306-S308 VanDerWaalsContact O-N 3.15Å; S308-A310 PolarHBondContact O-N 3.38Å; S308-A310 VanDerWaalsContact O-N 3.16Å | ||
| 309 | S | 37.6 | Very low | 39.1 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -75.5 | 96 | 171.3 | -172.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 310 | A | 36 | Very low | 38.9 | Very low | 89 Ų | 89 | 138.8 Ų | 138.8 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | trans | -129.4 | 63.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | S308 | S308-A310 PolarHBondContact O-N 3.38Å; S308-A310 VanDerWaalsContact O-N 3.16Å | ||
| 311 | Y | 37.8 | Very low | 39.2 | Very low | 200 Ų | 200 | 138.7 Ų | 138.7 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | trans | -108.8 | 96.5 | 165.1 | -176.1 | -99.6 | 0 | 0 | 0 | 107.6 | G313 | Y311-G313 VanDerWaalsContact CE1-CA 3.41Å; Y311-G313 PolarHBondContact O-N 2.66Å | ||
| 312 | W | 34.2 | Very low | 39.4 | Very low | 245 Ų | 245 | 140 Ų | 140 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | trans | -85.4 | 91.3 | 158.3 | -76.9 | 111.9 | 0 | 0 | 0 | 107.2 | ||||
| 313 | G | 33.8 | Very low | 39.3 | Very low | 35 Ų | 35 | 134.3 Ų | 134.3 | 36% | 0.361 | 81% | 0.806 | S | S | . | * | trans | -69.1 | 126.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y311 A315 | Y311-G313 VanDerWaalsContact CE1-CA 3.41Å; Y311-G313 PolarHBondContact O-N 2.66Å; G313-A315 PolarHBondContact O-N 3.39Å | ||
| 314 | V | 41.6 | Very low | 39.8 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | -78.6 | 109.9 | 166 | -179.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 315 | A | 36.2 | Very low | 39.4 | Very low | 84 Ų | 84 | 137.9 Ų | 137.9 | 69% | 0.694 | 81% | 0.809 | S | S | * | * | trans | -98.2 | 147.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | G313 | G313-A315 PolarHBondContact O-N 3.39Š| ||
| 316 | P | 41.7 | Very low | 39.9 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | -80.5 | 160.7 | -174.5 | 33.9 | -34.5 | 0 | 0 | 0 | 112.6 | ||||
| 317 | E | 42.3 | Very low | 40.6 | Very low | 194 Ų | 194 | 141.1 Ų | 141.1 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | trans | -36.8 | 135.1 | -175.5 | -65.8 | -168.5 | 118.6 | 0 | 0 | 116.5 | ||||
| 318 | T | 33.5 | Very low | 41.1 | Very low | 144 Ų | 144 | 138.7 Ų | 138.7 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | -143.1 | 139.3 | 151.9 | 9.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 319 | R | 43.7 | Very low | 42 | Very low | 262 Ų | 262 | 138.9 Ų | 138.9 | 99% | 0.989 | 77% | 0.773 | S | S | * | * | trans | -58.7 | 137.8 | -171.6 | -66.3 | 167.1 | 166 | 153.4 | -5.3 | 114 | ||||
| 320 | G | 30.8 | Very low | 43 | Very low | 71 Ų | 71 | 136 Ų | 136 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | trans | -176.2 | 157.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 321 | P | 40.6 | Very low | 44 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 84% | 0.838 | 75% | 0.746 | S | S | * | * | trans | -84.2 | 167.9 | -138 | 34.9 | -37.2 | 0 | 0 | 0 | 117 | ||||
| 322 | P | 49 | Very low | 44.9 | Very low | 136 Ų | 136 | 133.1 Ų | 133.1 | 88% | 0.883 | 74% | 0.736 | S | S | * | * | trans | -89.3 | 128.5 | -166.5 | 35.1 | -29.9 | 0 | 0 | 0 | 111.9 | ||||
| 323 | G | 44.8 | Very low | 46.1 | Very low | 67 Ų | 67 | 129.5 Ų | 129.5 | 69% | 0.691 | 73% | 0.729 | S | S | * | * | trans | -176.4 | 132.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 324 | L | 47.9 | Very low | 47.2 | Very low | 155 Ų | 155 | 131 Ų | 131 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | trans | 88.5 | 54.8 | 175.4 | -48.8 | 173.6 | 0 | 0 | 0 | 115.9 | W326 | L324-W326 PolarHBondContact O-N 3.17Š| ||
| 325 | L | 41.5 | Very low | 48 | Very low | 169 Ų | 169 | 125.6 Ų | 125.6 | 89% | 0.885 | 71% | 0.712 | S | S | * | * | trans | -73.6 | 109.6 | 141 | -174.8 | 70.3 | 0 | 0 | 0 | 106.2 | D327 | L325-D327 PolarHBondContact O-N 3.5Š| ||
| 326 | W | 49.5 | Very low | 49.4 | Very low | 210 Ų | 210 | 124.8 Ų | 124.8 | 80% | 0.795 | 70% | 0.699 | S | S | * | * | trans | -56.3 | 114.2 | 174.8 | -66.8 | 84.7 | 0 | 0 | 0 | 108.7 | L324 L328 | L324-W326 PolarHBondContact O-N 3.17Å; W326-L328 VanDerWaalsContact C-N 3.34Å; W326-L328 PolarHBondContact O-N 3.08Å | ||
| 327 | D | 50.9 | Low | 50.3 | Low | 108 Ų | 108 | 125.1 Ų | 125.1 | 58% | 0.578 | 70% | 0.701 | S | S | * | * | trans | -71.5 | 92.9 | 179.4 | -173.8 | 5.8 | 0 | 0 | 0 | 108.9 | L325 D329 A330 | L325-D327 PolarHBondContact O-N 3.5Å; D327-D329 PolarHBondContact O-N 2.66Å; D327-D329 WeakPolarHBondContact OD1-CB 3.46Å; D327-D329 PolarHBondContact OD1-N 3.03Å; D327-A330 HydrophobicContact CB-CB 4.4Å; D327-A330 PolarHBondContact O-N 3.42Å | ||
| 328 | L | 54.6 | Low | 51.2 | Low | 118 Ų | 118 | 123.4 Ų | 123.4 | 62% | 0.618 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -62.5 | -25.1 | 180 | -69.2 | 170.5 | 0 | 0 | 0 | 111.4 | W326 A330 L331 F332 | W326-L328 VanDerWaalsContact C-N 3.34Å; W326-L328 PolarHBondContact O-N 3.08Å; L328-A330 VanDerWaalsContact C-N 3.35Å; L328-L331 PolarHBondContact O-N 3.16Å; L328-F332 WeakPolarHBondContact O-CD2 3.38Å |
| 329 | D | 54.8 | Low | 52.8 | Low | 113 Ų | 113 | 122.6 Ų | 122.6 | 60% | 0.604 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -69.6 | -32 | 178.6 | -95 | -52.3 | 0 | 0 | 0 | 112.2 | D327 L331 F332 Q333 | D327-D329 PolarHBondContact O-N 2.66Å; D327-D329 WeakPolarHBondContact OD1-CB 3.46Å; D327-D329 PolarHBondContact OD1-N 3.03Å; D329-L331 VanDerWaalsContact C-N 3.26Å; D329-L331 PolarHBondContact O-N 3.34Å; D329-F332 PolarHBondContact O-N 3.39Å; D329-Q333 PolarHBondContact O-N 3.03Å |
| 330 | A | 57 | Low | 54.1 | Low | 60 Ų | 60 | 113.3 Ų | 113.3 | 50% | 0.496 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -66.7 | -26.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | D327 L328 | D327-A330 HydrophobicContact CB-CB 4.4Å; D327-A330 PolarHBondContact O-N 3.42Å; L328-A330 VanDerWaalsContact C-N 3.35Å |
| 331 | L | 57.9 | Low | 55.8 | Low | 98 Ų | 98 | 113.7 Ų | 113.7 | 51% | 0.513 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -74.5 | -25.1 | 176 | -85.3 | 160.3 | 0 | 0 | 0 | 113 | L328 D329 | L328-L331 PolarHBondContact O-N 3.16Å; D329-L331 VanDerWaalsContact C-N 3.26Å; D329-L331 PolarHBondContact O-N 3.34Å |
| 332 | F | 55.9 | Low | 57.1 | Low | 130 Ų | 130 | 114.9 Ų | 114.9 | 57% | 0.57 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -85.6 | -19.5 | 179.9 | -73.9 | -73.5 | 0 | 0 | 0 | 113.6 | L328 D329 G334 V335 I341 | L328-F332 WeakPolarHBondContact O-CD2 3.38Å; D329-F332 PolarHBondContact O-N 3.39Å; F332-G334 VanDerWaalsContact C-N 3.27Å; F332-G334 PolarHBondContact O-N 2.87Å; F332-V335 PolarHBondContact O-N 2.62Å; F332-I341 HydrophobicContact CD1-CD1 3.97Å; F332-I341 HydrophobicContact CE1-CD1 3.7Å; F332-I341 HydrophobicContact CZ-CD1 4.16Å |
| 333 | Q | 59.9 | Low | 57.9 | Low | 168 Ų | 168 | 112.5 Ų | 112.5 | 79% | 0.785 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -16.3 | -179.2 | -68.1 | -174.2 | 24.1 | 0 | 0 | 114.1 | D329 | D329-Q333 PolarHBondContact O-N 3.03Š|
| 334 | G | 58.1 | Low | 58.9 | Low | 66 Ų | 66 | 111.9 Ų | 111.9 | 68% | 0.68 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | F332 | F332-G334 VanDerWaalsContact C-N 3.27Å; F332-G334 PolarHBondContact O-N 2.87Å |
| 335 | V | 57.9 | Low | 59.6 | Low | 36 Ų | 36 | 112.4 Ų | 112.4 | 22% | 0.218 | 59% | 0.585 | C | S | . | * | S | Bend | trans | -98.6 | 122.6 | -171.6 | -171.8 | 0 | 0 | 0 | 0 | 110.4 | F332 K339 I341 V344 | F332-V335 PolarHBondContact O-N 2.62Å; V335-K339 WeakPolarHBondContact CG1-O 3.17Å; V335-I341 HydrophobicContact CG2-CD1 4.28Å; V335-I341 HydrophobicContact CG2-CG1 3.9Å; V335-V344 HydrophobicContact CG1-CG2 4.3Å |
| 336 | P | 64.4 | Low | 60.8 | Low | 66 Ų | 66 | 109 Ų | 109 | 43% | 0.429 | 57% | 0.571 | S | S | . | * | trans | -60.6 | 147.8 | 176.8 | -17.4 | 28.3 | 0 | 0 | 0 | 111.1 | N338 K339 | P336-N338 PolarHBondContact O-N 2.7Å; P336-K339 PolarHBondContact O-N 3.39Å; P336-K339 VanDerWaalsContact O-N 3.08Å | ||
| 337 | P | 61.1 | Low | 61.3 | Low | 127 Ų | 127 | 102.3 Ų | 102.3 | 83% | 0.825 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 0.8 | -167.1 | 22.5 | -33.5 | 0 | 0 | 0 | 116.4 | ||
| 338 | N | 62.1 | Low | 61.4 | Low | 159 Ų | 159 | 102.9 Ų | 102.9 | 85% | 0.85 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.6 | 17.5 | -179.3 | -64.7 | -47.6 | 0 | 0 | 0 | 113.9 | P336 | P336-N338 PolarHBondContact O-N 2.7Š|
| 339 | K | 66.6 | Low | 61.2 | Low | 127 Ų | 127 | 102.2 Ų | 102.2 | 55% | 0.552 | 56% | 0.558 | S | S | * | * | trans | -127.1 | 144.1 | 178 | -65.7 | -167.6 | 177.3 | -171.4 | 0 | 111.3 | V335 P336 V344 | V335-K339 WeakPolarHBondContact CG1-O 3.17Å; P336-K339 PolarHBondContact O-N 3.39Å; P336-K339 VanDerWaalsContact O-N 3.08Å; K339-V344 HydrophobicContact CB-CG2 4.3Å | ||
| 340 | S | 70.9 | Confident | 60.9 | Low | 67 Ų | 67 | 108 Ų | 108 | 47% | 0.469 | 57% | 0.572 | S | S | . | * | trans | -82 | 152.2 | 171.6 | -179.4 | 0 | 0 | 0 | 0 | 110.3 | Y342 D343 V344 | S340-Y342 PolarHBondContact O-N 2.7Å; S340-Y342 VanDerWaalsContact O-N 3.09Å; S340-D343 VanDerWaalsContact CB-OD2 3.3Å; S340-D343 WeakPolarHBondContact CB-OD2 3.05Å; S340-D343 PolarHBondContact N-OD2 3.07Å; S340-D343 VanDerWaalsContact N-OD2 3.14Å; S340-D343 WeakPolarHBondContact O-CB 3.42Å; S340-D343 PolarHBondContact O-N 2.74Å; S340-V344 PolarHBondContact O-N 2.95Å | ||
| 341 | I | 65.5 | Low | 60.5 | Low | 78 Ų | 78 | 111.4 Ų | 111.4 | 40% | 0.4 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -53 | -33.2 | 174.6 | -119.9 | 153.6 | 0 | 0 | 0 | 111.6 | F332 V335 V344 W345 | F332-I341 HydrophobicContact CD1-CD1 3.97Å; F332-I341 HydrophobicContact CE1-CD1 3.7Å; F332-I341 HydrophobicContact CZ-CD1 4.16Å; V335-I341 HydrophobicContact CG2-CD1 4.28Å; V335-I341 HydrophobicContact CG2-CG1 3.9Å; I341-V344 PolarHBondContact O-N 3.06Å; I341-W345 WeakPolarHBondContact O-CB 3.29Å; I341-W345 PolarHBondContact O-N 3.17Å |
| 342 | Y | 68.1 | Low | 60.1 | Low | 154 Ų | 154 | 113.8 Ų | 113.8 | 60% | 0.604 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.3 | -37.7 | 178.8 | -148.7 | -92.6 | 0 | 0 | 0 | 111.9 | S340 V344 W345 V346 | S340-Y342 PolarHBondContact O-N 2.7Å; S340-Y342 VanDerWaalsContact O-N 3.09Å; Y342-V344 VanDerWaalsContact C-N 3.35Å; Y342-W345 PolarHBondContact O-N 3.42Å; Y342-V346 HydrophobicContact CD1-CG2 4.06Å; Y342-V346 HydrophobicContact CE1-CG2 4.06Å; Y342-V346 WeakPolarHBondContact O-CB 3.09Å; Y342-V346 VanDerWaalsContact O-CG2 3.24Å; Y342-V346 WeakPolarHBondContact O-CG2 3.12Å; Y342-V346 PolarHBondContact O-N 2.97Å; Y342-V346 VanDerWaalsContact O-N 3.09Å |
| 343 | D | 66.8 | Low | 59.4 | Low | 87 Ų | 87 | 111.6 Ų | 111.6 | 47% | 0.465 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -69.8 | -34.7 | 178.4 | -59.8 | -46.3 | 0 | 0 | 0 | 111.6 | S340 S347 | S340-D343 VanDerWaalsContact CB-OD2 3.3Å; S340-D343 WeakPolarHBondContact CB-OD2 3.05Å; S340-D343 PolarHBondContact N-OD2 3.07Å; S340-D343 VanDerWaalsContact N-OD2 3.14Å; S340-D343 WeakPolarHBondContact O-CB 3.42Å; S340-D343 PolarHBondContact O-N 2.74Å; D343-S347 WeakPolarHBondContact O-CB 3.21Å; D343-S347 PolarHBondContact O-N 2.7Å; D343-S347 PolarHBondContact O-OG 3.15Å |
| 344 | V | 65.8 | Low | 58.6 | Low | 53 Ų | 53 | 107.8 Ų | 107.8 | 32% | 0.321 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69.7 | -44.6 | 176.5 | 178 | 0 | 0 | 0 | 0 | 110.6 | V335 K339 S340 I341 Y342 V346 S347 H348 | V335-V344 HydrophobicContact CG1-CG2 4.3Å; K339-V344 HydrophobicContact CB-CG2 4.3Å; S340-V344 PolarHBondContact O-N 2.95Å; I341-V344 PolarHBondContact O-N 3.06Å; Y342-V344 VanDerWaalsContact C-N 3.35Å; V344-V346 PolarHBondContact O-N 2.72Å; V344-S347 PolarHBondContact O-N 2.8Å; V344-H348 PolarHBondContact O-N 2.75Å |
| 345 | W | 63.2 | Low | 57.8 | Low | 166 Ų | 166 | 110.6 Ų | 110.6 | 63% | 0.629 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66 | -36.5 | -179.4 | -167.7 | 69.2 | 0 | 0 | 0 | 113.3 | I341 Y342 | I341-W345 WeakPolarHBondContact O-CB 3.29Å; I341-W345 PolarHBondContact O-N 3.17Å; Y342-W345 PolarHBondContact O-N 3.42Å |
| 346 | V | 66.4 | Low | 56.9 | Low | 97 Ų | 97 | 112 Ų | 112 | 59% | 0.588 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -75.2 | -28 | 178.5 | 171.6 | 0 | 0 | 0 | 0 | 112.3 | Y342 V344 | Y342-V346 HydrophobicContact CD1-CG2 4.06Å; Y342-V346 HydrophobicContact CE1-CG2 4.06Å; Y342-V346 WeakPolarHBondContact O-CB 3.09Å; Y342-V346 VanDerWaalsContact O-CG2 3.24Å; Y342-V346 WeakPolarHBondContact O-CG2 3.12Å; Y342-V346 PolarHBondContact O-N 2.97Å; Y342-V346 VanDerWaalsContact O-N 3.09Å; V344-V346 PolarHBondContact O-N 2.72Å |
| 347 | S | 60.4 | Low | 55.9 | Low | 70 Ų | 70 | 114.6 Ų | 114.6 | 49% | 0.49 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -87.5 | -33.5 | -173.9 | -55.7 | 0 | 0 | 0 | 0 | 113.8 | D343 V344 | D343-S347 WeakPolarHBondContact O-CB 3.21Å; D343-S347 PolarHBondContact O-N 2.7Å; D343-S347 PolarHBondContact O-OG 3.15Å; V344-S347 PolarHBondContact O-N 2.8Å |
| 348 | H | 52.9 | Low | 55 | Low | 120 Ų | 120 | 112 Ų | 112 | 56% | 0.556 | 64% | 0.638 | S | S | * | * | trans | -144.5 | 76.9 | -176.5 | -58.9 | 86.2 | 0 | 0 | 0 | 111.5 | V344 R350 D351 | V344-H348 PolarHBondContact O-N 2.75Å; H348-R350 PolarHBondContact O-N 2.98Å; H348-D351 HydrophobicContact CB-CB 4.3Å; H348-D351 PolarHBondContact O-N 3.21Å | ||
| 349 | P | 49.1 | Very low | 54.3 | Low | 105 Ų | 105 | 115.6 Ų | 115.6 | 68% | 0.682 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -0.1 | -175.5 | 25.3 | -33.2 | 0 | 0 | 0 | 114.9 | ||
| 350 | R | 50.1 | Low | 52.9 | Low | 235 Ų | 235 | 117.6 Ų | 117.6 | 89% | 0.887 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.9 | -0.7 | -179.5 | -76.4 | -154.5 | 175.8 | -174.4 | 0.5 | 116.5 | H348 | H348-R350 PolarHBondContact O-N 2.98Š|
| 351 | D | 47.2 | Very low | 51.5 | Low | 131 Ų | 131 | 123 Ų | 123 | 70% | 0.701 | 68% | 0.679 | S | S | * | * | trans | -91.4 | 10 | -179.6 | -87 | -25.7 | 0 | 0 | 0 | 114.6 | H348 A353 | H348-D351 HydrophobicContact CB-CB 4.3Å; H348-D351 PolarHBondContact O-N 3.21Å; D351-A353 PolarHBondContact O-N 3Å | ||
| 352 | L | 49.7 | Very low | 50.4 | Low | 147 Ų | 147 | 123.7 Ų | 123.7 | 77% | 0.77 | 69% | 0.69 | S | S | * | * | trans | -88.4 | 59.9 | 165.3 | -69.6 | 171.4 | 0 | 0 | 0 | 110.4 | ||||
| 353 | A | 42.3 | Very low | 49.1 | Very low | 85 Ų | 85 | 127.8 Ų | 127.8 | 70% | 0.702 | 71% | 0.705 | S | S | * | * | trans | -96.7 | 106.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | D351 | D351-A353 PolarHBondContact O-N 3Š| ||
| 354 | A | 42.3 | Very low | 47.5 | Very low | 87 Ų | 87 | 130.1 Ų | 130.1 | 72% | 0.719 | 73% | 0.726 | S | S | * | * | trans | -55.4 | 145.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | G356 | A354-G356 PolarHBondContact O-N 3.24Š| ||
| 355 | P | 41.8 | Very low | 46 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | -68.5 | 106.4 | 167.8 | 29.3 | -30.2 | 0 | 0 | 0 | 107.5 | ||||
| 356 | G | 38.8 | Very low | 44.8 | Very low | 65 Ų | 65 | 137.2 Ų | 137.2 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | trans | -60.7 | 132.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | A354 G358 | A354-G356 PolarHBondContact O-N 3.24Å; G356-G358 PolarHBondContact O-N 3.13Å | ||
| 357 | P | 42.5 | Very low | 43.7 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | trans | -63.7 | 121 | 175.6 | 23.1 | -29.7 | 0 | 0 | 0 | 109.6 | W359 | P357-W359 VanDerWaalsContact C-N 3.31Å; P357-W359 PolarHBondContact O-N 3.37Å | ||
| 358 | G | 42.3 | Very low | 42.8 | Very low | 72 Ų | 72 | 142.9 Ų | 142.9 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -71 | 81.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G356 | G356-G358 PolarHBondContact O-N 3.13Š|
| 359 | W | 47.8 | Very low | 42.3 | Very low | 236 Ų | 236 | 144.2 Ų | 144.2 | 89% | 0.894 | 82% | 0.822 | S | S | * | * | trans | -149.1 | 91.6 | 161.4 | -68.7 | 80.4 | 0 | 0 | 0 | 107 | P357 | P357-W359 VanDerWaalsContact C-N 3.31Å; P357-W359 PolarHBondContact O-N 3.37Å | ||
| 360 | L | 36.3 | Very low | 41.9 | Very low | 169 Ų | 169 | 146.5 Ų | 146.5 | 89% | 0.885 | 83% | 0.831 | S | S | * | * | trans | 179.5 | 64.4 | 154.3 | -94.6 | 170.7 | 0 | 0 | 0 | 108.6 | ||||
| 361 | L | 42.3 | Very low | 41.4 | Very low | 181 Ų | 181 | 140.9 Ų | 140.9 | 95% | 0.948 | 83% | 0.827 | S | S | * | * | trans | -98.4 | 89.5 | 150.1 | -80.3 | 173.1 | 0 | 0 | 0 | 106.9 | ||||
| 362 | S | 42.7 | Very low | 41 | Very low | 92 Ų | 92 | 141.6 Ų | 141.6 | 64% | 0.643 | 84% | 0.835 | S | S | * | * | trans | -170 | 133.8 | 151.1 | -141.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 363 | W | 40.2 | Very low | 40.3 | Very low | 240 Ų | 240 | 141.2 Ų | 141.2 | 91% | 0.909 | 84% | 0.84 | S | S | * | * | trans | 92.5 | 80.3 | 172 | -60.8 | 26.3 | 0 | 0 | 0 | 115.6 | ||||
| 364 | C | 32.7 | Very low | 40.2 | Very low | 135 Ų | 135 | 145.5 Ų | 145.5 | 91% | 0.912 | 85% | 0.851 | S | S | * | * | -172.7 | 79.6 | 120.3 | -98.4 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 365 | S | 35.9 | Very low | 40 | Very low | 118 Ų | 118 | 150.4 Ų | 150.4 | 83% | 0.825 | 86% | 0.862 | S | S | * | * | trans | -112.8 | 105.2 | 146.4 | -93.7 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 366 | L | 36.9 | Very low | 39.9 | Very low | 251 Ų | 251 | 152.6 Ų | 152.6 | 100% | 1.314 | 87% | 0.866 | S | S | * | * | trans | -163.4 | 0 | 132.3 | -126.5 | 88.5 | 0 | 0 | 0 | 108.9 |
Retrieved 366 of 366 residues in 74.4 ms
(Link to these results)