| 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 | V | 40.6 | Very low | 42.7 | Very low | 190 Ų | 190 | 152 Ų | 152 | 100% | 1.152 | 85% | 0.847 | S | S | * | * | 0 | 140 | 0 | -178.7 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 2 | M | 35 | Very low | 43.6 | Very low | 182 Ų | 182 | 160.6 Ų | 160.6 | 90% | 0.897 | 86% | 0.857 | S | S | * | * | trans | 73.9 | 107.2 | -168.5 | -64.3 | 178.7 | -171.9 | 0 | 0 | 113.6 | ||||
| 3 | A | 32.5 | Very low | 44.1 | Very low | 97 Ų | 97 | 156.4 Ų | 156.4 | 80% | 0.802 | 86% | 0.858 | S | S | * | * | cis | 78.4 | 116.8 | 45.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 4 | S | 41.3 | Very low | 44.8 | Very low | 110 Ų | 110 | 152 Ų | 152 | 77% | 0.769 | 85% | 0.853 | S | S | * | * | 96.1 | 142.3 | 130 | -153.2 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 5 | Q | 40.1 | Very low | 45.4 | Very low | 161 Ų | 161 | 153.1 Ų | 153.1 | 75% | 0.752 | 86% | 0.855 | S | S | * | * | trans | 85.6 | 123.3 | 172.1 | -46.2 | -173.4 | 4.3 | 0 | 0 | 113.6 | ||||
| 6 | R | 42.3 | Very low | 46 | Very low | 228 Ų | 228 | 154.4 Ų | 154.4 | 86% | 0.86 | 86% | 0.859 | S | S | * | * | cis | -151.8 | 151.3 | 40.2 | -74.1 | 177.9 | 169.6 | 158.7 | -5.2 | 113.4 | ||||
| 7 | T | 44.9 | Very low | 46.5 | Very low | 129 Ų | 129 | 156.1 Ų | 156.1 | 79% | 0.791 | 86% | 0.864 | S | S | * | * | trans | -71.3 | 153.7 | 179.6 | 37.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 8 | L | 48.9 | Very low | 46.9 | Very low | 159 Ų | 159 | 153.5 Ų | 153.5 | 83% | 0.832 | 87% | 0.867 | S | S | * | * | trans | 22.3 | 123.8 | 146.2 | -92 | 76.3 | 0 | 0 | 0 | 119.2 | ||||
| 9 | R | 42.6 | Very low | 47.3 | Very low | 248 Ų | 248 | 149.4 Ų | 149.4 | 94% | 0.936 | 86% | 0.862 | S | S | * | * | -154.3 | 90.4 | 123.3 | -120.7 | 174.5 | 178.6 | -178 | 0.3 | 111.1 | |||||
| 10 | A | 51.6 | Low | 47.9 | Very low | 99 Ų | 99 | 150.4 Ų | 150.4 | 82% | 0.818 | 86% | 0.864 | S | S | * | * | trans | -64.3 | 135.5 | 152.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 11 | G | 50.5 | Low | 48.4 | Very low | 69 Ų | 69 | 149.9 Ų | 149.9 | 71% | 0.711 | 86% | 0.863 | S | S | * | * | trans | 143.2 | 132.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 12 | R | 52.5 | Low | 49.3 | Very low | 255 Ų | 255 | 149.1 Ų | 149.1 | 96% | 0.962 | 85% | 0.851 | S | S | * | * | S | Bend | trans | 99.6 | 47.4 | 166.4 | -54.4 | -179.6 | 161 | -173.5 | -7 | 117.7 | ||
| 13 | A | 51 | Low | 50.7 | Low | 106 Ų | 106 | 144.5 Ų | 144.5 | 88% | 0.876 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -138.1 | 27.7 | 166 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 14 | A | 54 | Low | 52 | Low | 95 Ų | 95 | 144.3 Ų | 144.3 | 79% | 0.785 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -145.5 | 33.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 15 | L | 53.2 | Low | 53 | Low | 169 Ų | 169 | 147.3 Ų | 147.3 | 89% | 0.885 | 84% | 0.839 | S | S | * | * | trans | -144.6 | 60.9 | 176.4 | -78.7 | 171.3 | 0 | 0 | 0 | 111.7 | ||||
| 16 | L | 55.5 | Low | 54.1 | Low | 174 Ų | 174 | 149.9 Ų | 149.9 | 91% | 0.911 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -143 | 26.9 | 170 | -76.6 | -178.7 | 0 | 0 | 0 | 114 | ||
| 17 | L | 53.3 | Low | 55.1 | Low | 182 Ų | 182 | 143.9 Ų | 143.9 | 95% | 0.953 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -133.9 | 16.7 | 179.6 | -77.2 | 171.6 | 0 | 0 | 0 | 115.8 | ||
| 18 | A | 55.4 | Low | 56 | Low | 110 Ų | 110 | 142.9 Ų | 142.9 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -126 | 49.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 19 | G | 53.5 | Low | 56.6 | Low | 76 Ų | 76 | 141.6 Ų | 141.6 | 78% | 0.784 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -147.3 | 28.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 20 | L | 58.5 | Low | 57.6 | Low | 169 Ų | 169 | 135.6 Ų | 135.6 | 89% | 0.885 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -143.8 | 36.8 | -175.3 | -118.8 | 145.2 | 0 | 0 | 0 | 113.5 | ||
| 21 | V | 60.3 | Low | 58.3 | Low | 139 Ų | 139 | 135.5 Ų | 135.5 | 84% | 0.842 | 82% | 0.821 | S | S | * | * | trans | -147.1 | 61 | 169.2 | -163.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 22 | L | 59.3 | Low | 59.5 | Low | 174 Ų | 174 | 137.1 Ų | 137.1 | 91% | 0.911 | 82% | 0.822 | S | S | * | * | trans | -143.4 | 65 | 160 | -78.5 | 174.1 | 0 | 0 | 0 | 108.3 | ||||
| 23 | A | 62.8 | Low | 61.1 | Low | 86 Ų | 86 | 127.9 Ų | 127.9 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | -68.4 | 124.1 | 158.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | L25 | A23-L25 PolarHBondContact O-N 3.2Å; A23-L25 VanDerWaalsContact O-N 3.11Å | ||
| 24 | P | 61.4 | Low | 62.8 | Low | 93 Ų | 93 | 128.7 Ų | 128.7 | 60% | 0.604 | 79% | 0.791 | S | S | * | * | trans | -63.1 | 118.7 | 177.2 | 24.6 | -30.4 | 0 | 0 | 0 | 108.6 | W26 | P24-W26 HydrophobicContact CB-CD2 4.12Å; P24-W26 HydrophobicContact CB-CE3 3.81Å; P24-W26 HydrophobicContact CB-CZ3 4.32Å; P24-W26 HydrophobicContact CG-CE3 4.29Å; P24-W26 PolarHBondContact O-N 2.7Å | ||
| 25 | L | 62 | Low | 64.7 | Low | 173 Ų | 173 | 127.5 Ų | 127.5 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | trans | -69.1 | 37.4 | 167.2 | -76.2 | 156.5 | 0 | 0 | 0 | 111.1 | A23 P27 | A23-L25 PolarHBondContact O-N 3.2Å; A23-L25 VanDerWaalsContact O-N 3.11Å; L25-P27 VanDerWaalsContact O-CD 3.3Å; L25-P27 WeakPolarHBondContact O-CD 3.38Å | ||
| 26 | W | 62 | Low | 66.7 | Low | 214 Ų | 214 | 124.1 Ų | 124.1 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 120.3 | 168.5 | -77.1 | -37.4 | 0 | 0 | 0 | 107 | P24 | P24-W26 HydrophobicContact CB-CD2 4.12Å; P24-W26 HydrophobicContact CB-CE3 3.81Å; P24-W26 HydrophobicContact CB-CZ3 4.32Å; P24-W26 HydrophobicContact CG-CE3 4.29Å; P24-W26 PolarHBondContact O-N 2.7Å |
| 27 | P | 63.4 | Low | 68.6 | Low | 103 Ų | 103 | 119.5 Ų | 119.5 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 134.9 | 163.6 | -18.2 | 29.9 | 0 | 0 | 0 | 106.4 | L25 C29 | L25-P27 VanDerWaalsContact O-CD 3.3Å; L25-P27 WeakPolarHBondContact O-CD 3.38Å; P27-C29 PolarHBondContact O-N 2.79Å |
| 28 | P | 63.9 | Low | 70.7 | Confident | 108 Ų | 108 | 111.9 Ų | 111.9 | 70% | 0.701 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -50 | 125.9 | 167.6 | 22.3 | -30.7 | 0 | 0 | 0 | 106 | V30 | P28-V30 PolarHBondContact O-N 3.09Š|
| 29 | C | 62.8 | Low | 72.6 | Confident | 131 Ų | 131 | 111.9 Ų | 111.9 | 89% | 0.885 | 67% | 0.665 | S | S | * | * | trans | -58.8 | 91.5 | 169.5 | -80.6 | 0 | 0 | 0 | 0 | 106.1 | P27 A31 | P27-C29 PolarHBondContact O-N 2.79Å; C29-A31 PolarHBondContact O-N 3Å | ||
| 30 | V | 61.9 | Low | 74.6 | Confident | 123 Ų | 123 | 111.2 Ų | 111.2 | 75% | 0.745 | 64% | 0.644 | S | S | * | * | trans | -67.1 | 100.7 | 162.8 | -174.7 | 0 | 0 | 0 | 0 | 102.4 | P28 S32 | P28-V30 PolarHBondContact O-N 3.09Å; V30-S32 PolarHBondContact O-N 2.86Å | ||
| 31 | A | 66.2 | Low | 76.5 | Confident | 96 Ų | 96 | 104.3 Ų | 104.3 | 79% | 0.793 | 61% | 0.606 | S | S | * | * | trans | -60.2 | 93.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 106 | C29 C33 | C29-A31 PolarHBondContact O-N 3Å; A31-C33 PolarHBondContact O-N 2.84Å; A31-C33 VanDerWaalsContact O-N 3.16Å | ||
| 32 | S | 77.2 | Confident | 78.2 | Confident | 104 Ų | 104 | 97.9 Ų | 97.9 | 73% | 0.727 | 57% | 0.567 | S | S | * | * | trans | -66.8 | 115.1 | 174.1 | -170.9 | 0 | 0 | 0 | 0 | 105.8 | V30 P34 | V30-S32 PolarHBondContact O-N 2.86Å; S32-P34 WeakPolarHBondContact O-CD 3.47Å | ||
| 33 | C | 85.7 | Confident | 79.9 | Confident | 60 Ų | 60 | 95.6 Ų | 95.6 | 41% | 0.405 | 55% | 0.552 | S | S | . | * | trans | -68.8 | 122.9 | 176.1 | -169.4 | 0 | 0 | 0 | 0 | 108.1 | A31 E35 C105 | A31-C33 PolarHBondContact O-N 2.84Å; A31-C33 VanDerWaalsContact O-N 3.16Å; C33-E35 VanDerWaalsContact C-N 3.31Å; C33-E35 PolarHBondContact O-N 2.81Å; C33-C105 HydrophobicContact CB-CB 3.64Å; C33-C105 WeakPolarHBondContact CB-SG 3.37Å; C33-C105 WeakPolarHBondContact SG-CA 3.25Å; C33-C105 WeakPolarHBondContact SG-CB 3.49Å; C33-C105 CovalentContact SG-SG 2Å; C33-C105 PolarHBondContact SG-SG 3.34Å | ||
| 34 | P | 87.4 | Confident | 81.4 | Confident | 123 Ų | 123 | 95.4 Ų | 95.4 | 80% | 0.799 | 54% | 0.536 | S | S | * | . | trans | -77.6 | 83.4 | -176.4 | 31.6 | -33.8 | 0 | 0 | 0 | 109.7 | S32 | S32-P34 WeakPolarHBondContact O-CD 3.47Š| ||
| 35 | E | 93.6 | Very high | 83.1 | Confident | 70 Ų | 70 | 91 Ų | 91 | 33% | 0.327 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -82.2 | 139 | 173.4 | -166.2 | 66.4 | -142.6 | 0 | 0 | 110.3 | C33 R41 C105 S139 | C33-E35 VanDerWaalsContact C-N 3.31Å; C33-E35 PolarHBondContact O-N 2.81Å; E35-R41 WeakPolarHBondContact OE1-CD 3.25Å; E35-R41 IonicContact OE1-CZ 2.69Å; E35-R41 IonicContact OE1-NE 3.12Å; E35-R41 PolarHBondContact OE1-NE 2.94Å; E35-C105 VanDerWaalsContact OE2-CB 3.23Å; E35-C105 WeakPolarHBondContact OE2-CB 3.33Å; E35-C105 PolarHBondContact OE2-SG 3.29Å; E35-S139 VanDerWaalsContact CD-CB 3.46Å; E35-S139 WeakPolarHBondContact OE1-CB 3.4Å; E35-S139 PolarHBondContact OE1-N 2.87Å; E35-S139 PolarHBondContact OE1-OG 3.04Å; E35-S139 VanDerWaalsContact OE2-CB 3.26Å; E35-S139 WeakPolarHBondContact OE2-CB 3.26Å; E35-S139 PolarHBondContact OE2-OG 3.16Å |
| 36 | K | 94.5 | Very high | 84.5 | Confident | 99 Ų | 99 | 87.7 Ų | 87.7 | 43% | 0.43 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 162 | 173.2 | -68.7 | -177.7 | -175.9 | 176.2 | 0 | 111.3 | D40 R41 E44 | K36-D40 HydrophobicContact CB-CB 4.22Å; K36-D40 HydrophobicContact CD-CB 4.23Å; K36-R41 HydrophobicContact CB-CG 3.83Å; K36-R41 WeakPolarHBondContact O-CD 3.4Å; K36-E44 IonicContact NZ-OE1 2.87Å; K36-E44 PolarHBondContact NZ-OE1 2.89Å; K36-E44 IonicContact NZ-OE2 2.56Å; K36-E44 PolarHBondContact NZ-OE2 2.94Å |
| 37 | N | 95.6 | Very high | 86 | Confident | 76 Ų | 76 | 77.6 Ų | 77.6 | 41% | 0.406 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 171.4 | 171.9 | 66.2 | 36.5 | 0 | 0 | 0 | 110.4 | E39 D40 R41 | N37-E39 VanDerWaalsContact C-N 3.35Å; N37-E39 WeakPolarHBondContact CB-OE2 3.34Å; N37-E39 PolarHBondContact OD1-N 3.26Å; N37-E39 PolarHBondContact OD1-OE2 3.28Å; N37-D40 PolarHBondContact ND2-OD1 3.46Å; N37-D40 PolarHBondContact ND2-OD2 3.44Å; N37-D40 VanDerWaalsContact ND2-OD2 3.08Å; N37-D40 VanDerWaalsContact OD1-CB 3.26Å; N37-D40 WeakPolarHBondContact OD1-CB 3.46Å; N37-D40 PolarHBondContact OD1-N 3.26Å; N37-D40 PolarHBondContact OD1-OD1 3.43Å; N37-D40 PolarHBondContact OD1-OD2 3.43Å; N37-R41 WeakPolarHBondContact O-CB 3.3Å; N37-R41 VanDerWaalsContact O-CD 3.23Å; N37-R41 WeakPolarHBondContact O-CD 3.27Å; N37-R41 WeakPolarHBondContact O-CG 3.46Å; N37-R41 PolarHBondContact O-N 3.34Å |
| 38 | L | 96.4 | Very high | 87.6 | Confident | 22 Ų | 22 | 72.7 Ų | 72.7 | 12% | 0.115 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -69.9 | -38.3 | -173.9 | -176 | 60.1 | 0 | 0 | 0 | 111.5 | R41 E42 F118 M141 E150 V151 | L38-R41 PolarHBondContact O-N 3.01Å; L38-E42 VanDerWaalsContact O-CB 3.24Å; L38-E42 WeakPolarHBondContact O-CB 3.37Å; L38-E42 PolarHBondContact O-N 2.86Å; L38-F118 HydrophobicContact CD1-CE1 4.16Å; L38-F118 HydrophobicContact CD1-CZ 3.7Å; L38-M141 HydrophobicContact CD1-CE 4.43Å; L38-M141 HydrophobicContact CD1-SD 4.03Å; L38-M141 HydrophobicContact CD2-CE 4.42Å; L38-E150 HydrophobicContact CD2-CB 3.77Å; L38-V151 HydrophobicContact CD1-CG2 4.02Å; L38-V151 HydrophobicContact CD2-CG2 4.09Å |
| 39 | E | 95.6 | Very high | 89.1 | Confident | 110 Ų | 110 | 67.5 Ų | 67.5 | 51% | 0.514 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.7 | -52.9 | -178.6 | -60.8 | 79.9 | 179.3 | 0 | 0 | 110.9 | N37 R41 E42 E43 | N37-E39 VanDerWaalsContact C-N 3.35Å; N37-E39 WeakPolarHBondContact CB-OE2 3.34Å; N37-E39 PolarHBondContact OD1-N 3.26Å; N37-E39 PolarHBondContact OD1-OE2 3.28Å; E39-R41 VanDerWaalsContact C-N 3.27Å; E39-R41 PolarHBondContact O-N 3.38Å; E39-E42 PolarHBondContact O-N 2.68Å; E39-E42 VanDerWaalsContact O-N 3.14Å; E39-E43 WeakPolarHBondContact O-CB 3.22Å; E39-E43 PolarHBondContact O-N 2.71Å |
| 40 | D | 96.5 | Very high | 90.8 | Very high | 62 Ų | 62 | 61.8 Ų | 61.8 | 33% | 0.332 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.7 | -36.8 | 177.8 | -59.8 | -16.5 | 0 | 0 | 0 | 111.3 | K36 N37 E42 E44 | K36-D40 HydrophobicContact CB-CB 4.22Å; K36-D40 HydrophobicContact CD-CB 4.23Å; N37-D40 PolarHBondContact ND2-OD1 3.46Å; N37-D40 PolarHBondContact ND2-OD2 3.44Å; N37-D40 VanDerWaalsContact ND2-OD2 3.08Å; N37-D40 VanDerWaalsContact OD1-CB 3.26Å; N37-D40 WeakPolarHBondContact OD1-CB 3.46Å; N37-D40 PolarHBondContact OD1-N 3.26Å; N37-D40 PolarHBondContact OD1-OD1 3.43Å; N37-D40 PolarHBondContact OD1-OD2 3.43Å; D40-E42 VanDerWaalsContact C-N 3.32Å; D40-E44 VanDerWaalsContact O-CB 3.32Å; D40-E44 WeakPolarHBondContact O-CB 3.34Å; D40-E44 VanDerWaalsContact O-CG 3.23Å; D40-E44 WeakPolarHBondContact O-CG 3.16Å; D40-E44 PolarHBondContact O-N 3.25Å |
| 41 | R | 97.3 | Very high | 92.4 | Very high | 24 Ų | 24 | 55.9 Ų | 55.9 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70 | -32.7 | 179 | -74.1 | 168 | 57.5 | -152.8 | -0.7 | 112.3 | E35 K36 N37 L38 E39 A45 F118 S138 S139 | E35-R41 WeakPolarHBondContact OE1-CD 3.25Å; E35-R41 IonicContact OE1-CZ 2.69Å; E35-R41 IonicContact OE1-NE 3.12Å; E35-R41 PolarHBondContact OE1-NE 2.94Å; K36-R41 HydrophobicContact CB-CG 3.83Å; K36-R41 WeakPolarHBondContact O-CD 3.4Å; N37-R41 WeakPolarHBondContact O-CB 3.3Å; N37-R41 VanDerWaalsContact O-CD 3.23Å; N37-R41 WeakPolarHBondContact O-CD 3.27Å; N37-R41 WeakPolarHBondContact O-CG 3.46Å; N37-R41 PolarHBondContact O-N 3.34Å; L38-R41 PolarHBondContact O-N 3.01Å; E39-R41 VanDerWaalsContact C-N 3.27Å; E39-R41 PolarHBondContact O-N 3.38Å; R41-A45 VanDerWaalsContact O-CB 3.23Å; R41-A45 WeakPolarHBondContact O-CB 3.43Å; R41-A45 PolarHBondContact O-N 2.93Å; R41-F118 HydrophobicContact CB-CD1 4.48Å; R41-S138 PolarHBondContact NE-OG 2.89Å; R41-S139 PolarHBondContact NH2-O 2.91Å |
| 42 | E | 96.1 | Very high | 93.9 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 2% | 0.023 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -77.5 | -42.4 | 178.5 | -174.9 | -74.4 | 146.8 | 0 | 0 | 110.3 | L38 E39 D40 E44 A45 K77 F118 C154 V155 | L38-E42 VanDerWaalsContact O-CB 3.24Å; L38-E42 WeakPolarHBondContact O-CB 3.37Å; L38-E42 PolarHBondContact O-N 2.86Å; E39-E42 PolarHBondContact O-N 2.68Å; E39-E42 VanDerWaalsContact O-N 3.14Å; D40-E42 VanDerWaalsContact C-N 3.32Å; E42-E44 PolarHBondContact O-N 2.84Å; E42-A45 PolarHBondContact O-N 3.08Å; E42-A45 VanDerWaalsContact O-O 3.09Å; E42-K77 VanDerWaalsContact CD-NZ 3.33Å; E42-K77 PolarHBondContact O-NZ 3.43Å; E42-K77 WeakPolarHBondContact OE1-CD 3.39Å; E42-K77 WeakPolarHBondContact OE1-CE 3.28Å; E42-K77 IonicContact OE1-NZ 2.71Å; E42-K77 PolarHBondContact OE1-NZ 3.31Å; E42-K77 IonicContact OE2-NZ 2.86Å; E42-F118 HydrophobicContact CB-CE1 4.28Å; E42-C154 HydrophobicContact CB-CB 4.3Å; E42-C154 HydrophobicContact CG-CB 3.93Å; E42-V155 HydrophobicContact CG-CG2 3.8Å; E42-V155 WeakPolarHBondContact OE1-CA 3.26Å; E42-V155 VanDerWaalsContact OE1-CG2 3.31Å; E42-V155 WeakPolarHBondContact OE1-CG2 3.43Å |
| 43 | E | 95.4 | Very high | 94.9 | Very high | 126 Ų | 126 | 47.4 Ų | 47.4 | 59% | 0.589 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -60.2 | -44.6 | 174.1 | -175.1 | -179.3 | 176.9 | 0 | 0 | 111.2 | E39 A45 | E39-E43 WeakPolarHBondContact O-CB 3.22Å; E39-E43 PolarHBondContact O-N 2.71Å; E43-A45 VanDerWaalsContact C-N 3.26Å; E43-A45 PolarHBondContact O-N 3.05Å |
| 44 | E | 95.4 | Very high | 95.3 | Very high | 81 Ų | 81 | 46.7 Ų | 46.7 | 38% | 0.379 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -14.9 | 179.9 | -72.1 | 177.1 | -173.1 | 0 | 0 | 114.2 | K36 D40 E42 N120 | K36-E44 IonicContact NZ-OE1 2.87Å; K36-E44 PolarHBondContact NZ-OE1 2.89Å; K36-E44 IonicContact NZ-OE2 2.56Å; K36-E44 PolarHBondContact NZ-OE2 2.94Å; D40-E44 VanDerWaalsContact O-CB 3.32Å; D40-E44 WeakPolarHBondContact O-CB 3.34Å; D40-E44 VanDerWaalsContact O-CG 3.23Å; D40-E44 WeakPolarHBondContact O-CG 3.16Å; D40-E44 PolarHBondContact O-N 3.25Å; E42-E44 PolarHBondContact O-N 2.84Å; E44-N120 PolarHBondContact O-ND2 3.27Å; E44-N120 PolarHBondContact O-OD1 2.89Å |
| 45 | A | 95.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -100 | 111.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R41 E42 E43 V47 V48 K77 F118 | R41-A45 VanDerWaalsContact O-CB 3.23Å; R41-A45 WeakPolarHBondContact O-CB 3.43Å; R41-A45 PolarHBondContact O-N 2.93Å; E42-A45 PolarHBondContact O-N 3.08Å; E42-A45 VanDerWaalsContact O-O 3.09Å; E43-A45 VanDerWaalsContact C-N 3.26Å; E43-A45 PolarHBondContact O-N 3.05Å; A45-V47 PolarHBondContact O-N 3.17Å; A45-V48 HydrophobicContact CB-CG2 4.17Å; A45-K77 WeakPolarHBondContact O-CD 3.4Å; A45-K77 WeakPolarHBondContact O-CE 3.4Å; A45-F118 HydrophobicContact CB-CB 3.93Å; A45-F118 HydrophobicContact CB-CD1 4.07Å | ||
| 46 | N | 92.4 | Very high | 95.7 | Very high | 104 Ų | 104 | 45.2 Ų | 45.2 | 56% | 0.556 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -69.9 | -20.6 | 176.4 | -68.8 | -68.9 | 0 | 0 | 0 | 113.1 | G78 L119 N120 | N46-G78 WeakPolarHBondContact O-CA 3.24Å; N46-L119 PolarHBondContact N-O 2.88Å; N46-N120 WeakPolarHBondContact CB-OD1 3.49Å; N46-N120 PolarHBondContact N-OD1 3.4Å; N46-N120 PolarHBondContact ND2-OD1 3.33Å |
| 47 | V | 93.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 129.9 | 179.8 | 173.2 | 0 | 0 | 0 | 0 | 109.6 | A45 L49 I82 L119 L134 | A45-V47 PolarHBondContact O-N 3.17Å; V47-L49 HydrophobicContact CG1-CD2 4.2Å; V47-I82 HydrophobicContact CG1-CD1 3.77Å; V47-I82 HydrophobicContact CG1-CG1 4.46Å; V47-I82 HydrophobicContact CG2-CD1 4.16Å; V47-I82 HydrophobicContact CG2-CG1 3.96Å; V47-L119 HydrophobicContact CB-CB 4.13Å; V47-L119 HydrophobicContact CG1-CB 4.34Å; V47-L119 HydrophobicContact CG1-CD1 4.38Å; V47-L119 PolarHBondContact N-O 2.76Å; V47-L119 PolarHBondContact O-N 2.79Å; V47-L134 HydrophobicContact CB-CD2 4.37Å; V47-L134 HydrophobicContact CG1-CD2 4.44Å; V47-L134 HydrophobicContact CG2-CD2 4.2Å |
| 48 | V | 96.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 127.4 | 171.4 | -174.6 | 0 | 0 | 0 | 0 | 109 | A45 L76 K77 I116 F117 F118 V151 | A45-V48 HydrophobicContact CB-CG2 4.17Å; V48-L76 HydrophobicContact CB-CB 4.27Å; V48-L76 HydrophobicContact CG1-CB 4.12Å; V48-L76 HydrophobicContact CG1-CD1 4.15Å; V48-L76 PolarHBondContact O-N 3.35Å; V48-K77 HydrophobicContact CB-CB 3.88Å; V48-K77 HydrophobicContact CG2-CB 3.98Å; V48-K77 HydrophobicContact CG2-CD 4.32Å; V48-K77 PolarHBondContact N-O 3.03Å; V48-K77 VanDerWaalsContact N-O 3.15Å; V48-K77 PolarHBondContact O-N 2.83Å; V48-I116 HydrophobicContact CG1-CG2 3.82Å; V48-F117 WeakPolarHBondContact CA-O 3.3Å; V48-F118 HydrophobicContact CG1-CD1 4.39Å; V48-F118 HydrophobicContact CG1-CE1 4.26Å; V48-F118 HydrophobicContact CG2-CD1 3.84Å; V48-F118 HydrophobicContact CG2-CE1 4.15Å; V48-V151 HydrophobicContact CG1-CG1 3.94Å |
| 49 | L | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 159.6 | -179.1 | 66.9 | 84.1 | 0 | 0 | 0 | 112.7 | V47 V72 R74 Y75 V94 I96 I116 F117 L119 L134 | V47-L49 HydrophobicContact CG1-CD2 4.2Å; L49-V72 HydrophobicContact CB-CG1 4.41Å; L49-V72 HydrophobicContact CD1-CG1 4.48Å; L49-V72 HydrophobicContact CD1-CG2 4.33Å; L49-V72 HydrophobicContact CD2-CG2 4.28Å; L49-R74 WeakPolarHBondContact CA-O 3.46Å; L49-Y75 HydrophobicContact CB-CD1 3.75Å; L49-Y75 HydrophobicContact CB-CE1 4.05Å; L49-Y75 HydrophobicContact CB-CG 4.46Å; L49-Y75 HydrophobicContact CD2-CD1 4.1Å; L49-Y75 HydrophobicContact CD2-CE1 3.56Å; L49-Y75 HydrophobicContact CG-CE1 4.47Å; L49-V94 HydrophobicContact CD2-CG2 4.34Å; L49-I96 HydrophobicContact CD1-CD1 4.49Å; L49-I116 WeakPolarHBondContact O-CA 3.17Å; L49-F117 HydrophobicContact CD1-CB 4.25Å; L49-F117 HydrophobicContact CD1-CD2 3.69Å; L49-F117 HydrophobicContact CD1-CE2 4.43Å; L49-F117 HydrophobicContact CD1-CG 4.29Å; L49-F117 HydrophobicContact CG-CB 4.44Å; L49-F117 PolarHBondContact N-O 3.3Å; L49-F117 VanDerWaalsContact N-O 3.13Å; L49-F117 PolarHBondContact O-N 3.44Å; L49-L119 HydrophobicContact CD2-CD1 3.69Å; L49-L119 HydrophobicContact CG-CD1 3.92Å; L49-L134 HydrophobicContact CD2-CD1 4.25Å |
| 50 | T | 97.6 | Very high | 93.5 | Very high | 10 Ų | 10 | 46.3 Ų | 46.3 | 6% | 0.061 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 141.3 | 169.9 | 56.7 | 0 | 0 | 0 | 0 | 109.5 | W73 R74 L76 I116 I143 L148 | T50-W73 PolarHBondContact O-N 2.98Å; T50-R74 PolarHBondContact N-O 2.67Å; T50-R74 PolarHBondContact OG1-N 3.15Å; T50-R74 VanDerWaalsContact OG1-N 3.09Å; T50-R74 PolarHBondContact OG1-O 2.88Å; T50-L76 HydrophobicContact CG2-CD1 4.15Å; T50-L76 HydrophobicContact CG2-CG 4.44Å; T50-I116 HydrophobicContact CG2-CG1 4.21Å; T50-I143 HydrophobicContact CG2-CD1 3.71Å; T50-L148 HydrophobicContact CG2-CD2 3.76Å |
| 51 | G | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.5 | 171.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R71 T114 R115 | G51-R71 CarbonylContact C-O 3.55Å; G51-R71 WeakPolarHBondContact CA-O 3.48Å; G51-T114 VanDerWaalsContact O-CA 3.26Å; G51-T114 WeakPolarHBondContact O-CA 3.26Å; G51-T114 VanDerWaalsContact O-CG2 3.25Å; G51-T114 WeakPolarHBondContact O-CG2 3.47Å; G51-R115 PolarHBondContact N-O 3.29Å; G51-R115 VanDerWaalsContact N-O 3.16Å; G51-R115 PolarHBondContact O-N 3.36Å; G51-R115 VanDerWaalsContact O-N 3.08Å |
| 52 | T | 97.6 | Very high | 92.2 | Very high | 20 Ų | 20 | 52.3 Ų | 52.3 | 12% | 0.123 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 133 | 176.2 | -52.4 | 0 | 0 | 0 | 0 | 110.1 | D54 V70 R71 W73 G112 D113 T114 | T52-D54 PolarHBondContact O-N 2.93Å; T52-V70 WeakPolarHBondContact O-CA 3.44Å; T52-R71 PolarHBondContact N-O 3.07Å; T52-R71 PolarHBondContact O-N 3.36Å; T52-W73 WeakPolarHBondContact OG1-CZ2 3.27Å; T52-W73 PolarHBondContact OG1-NE1 3.12Å; T52-G112 WeakPolarHBondContact CG2-O 3.3Å; T52-D113 CarbonylContact C-O 3.37Å; T52-D113 VanDerWaalsContact CA-O 3.27Å; T52-D113 WeakPolarHBondContact CA-O 3.12Å; T52-T114 PolarHBondContact OG1-OG1 2.81Å |
| 53 | V | 97.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 116.8 | 174.9 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | I56 C68 V70 V109 G112 D113 F117 | V53-I56 HydrophobicContact CG1-CG1 4.07Å; V53-C68 HydrophobicContact CG1-CB 4.15Å; V53-V70 HydrophobicContact CG2-CG2 4.27Å; V53-V109 HydrophobicContact CG2-CB 3.96Å; V53-V109 HydrophobicContact CG2-CG1 4.22Å; V53-V109 HydrophobicContact CG2-CG2 3.98Å; V53-G112 PolarHBondContact O-N 3.47Å; V53-D113 HydrophobicContact CG2-CB 4.4Å; V53-D113 PolarHBondContact N-O 2.93Å; V53-F117 HydrophobicContact CG2-CZ 4.34Å |
| 54 | D | 94.8 | Very high | 91.3 | Very high | 46 Ų | 46 | 60 Ų | 60 | 25% | 0.246 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -43.8 | 179.5 | -162.9 | 38.3 | 0 | 0 | 0 | 110.7 | T52 K69 R71 K93 T111 | T52-D54 PolarHBondContact O-N 2.93Å; D54-K69 WeakPolarHBondContact CB-O 3.43Å; D54-K69 PolarHBondContact N-O 2.86Å; D54-R71 IonicContact OD1-CZ 3.55Å; D54-R71 IonicContact OD1-NH1 3.68Å; D54-R71 IonicContact OD1-NH2 2.68Å; D54-R71 PolarHBondContact OD1-NH2 3.47Å; D54-R71 IonicContact OD2-NH1 3.96Å; D54-K93 VanDerWaalsContact OD2-CE 3.3Å; D54-K93 WeakPolarHBondContact OD2-CE 3.28Å; D54-K93 IonicContact OD2-NZ 3.87Å; D54-K93 PolarHBondContact OD2-NZ 3.32Å; D54-T111 VanDerWaalsContact O-CG2 3.27Å; D54-T111 WeakPolarHBondContact O-CG2 3.43Å |
| 55 | E | 94.6 | Very high | 91.2 | Very high | 94 Ų | 94 | 56.5 Ų | 56.5 | 44% | 0.439 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 143.2 | -176 | -174 | 177.1 | -170.6 | 0 | 0 | 110.4 | C68 K69 | E55-C68 CarbonylContact O-C 3.51Å; E55-C68 VanDerWaalsContact O-CA 3.26Å; E55-C68 WeakPolarHBondContact O-CA 3.17Å; E55-K69 HydrophobicContact CB-CB 4.18Å; E55-K69 PolarHBondContact N-O 3.49Å; E55-K69 PolarHBondContact O-N 3.27Å |
| 56 | I | 94.4 | Very high | 91.1 | Very high | 67 Ų | 67 | 58.2 Ų | 58.2 | 34% | 0.344 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 126.5 | 171.3 | -60.4 | 174.2 | 0 | 0 | 0 | 107 | V53 Y66 V109 | V53-I56 HydrophobicContact CG1-CG1 4.07Å; I56-Y66 HydrophobicContact CG2-CD2 3.6Å; I56-Y66 HydrophobicContact CG2-CE2 3.88Å; I56-Y66 HydrophobicContact CG2-CG 4.48Å; I56-V109 WeakPolarHBondContact CD1-O 3.36Å |
| 57 | F | 88.6 | Confident | 91.1 | Very high | 51 Ų | 51 | 54 Ų | 54 | 22% | 0.224 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 158 | -175.6 | 69.8 | -85.9 | 0 | 0 | 0 | 111.1 | Y67 K69 T95 | F57-Y67 PolarHBondContact N-O 3.05Å; F57-Y67 CarbonylContact O-C 3.46Å; F57-Y67 WeakPolarHBondContact O-CA 3.31Å; F57-Y67 WeakPolarHBondContact O-CB 3.25Å; F57-Y67 PolarHBondContact O-N 2.94Å; F57-K69 HydrophobicContact CD1-CB 4.32Å; F57-K69 HydrophobicContact CE1-CB 3.84Å; F57-T95 HydrophobicContact CE1-CG2 4.43Å; F57-T95 HydrophobicContact CZ-CG2 3.66Å |
| 58 | N | 81.7 | Confident | 91.1 | Very high | 118 Ų | 118 | 53.9 Ų | 53.9 | 63% | 0.631 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 53.6 | 124.6 | 176.7 | -64.7 | -13.4 | 0 | 0 | 0 | 115.7 | Y66 Y67 | N58-Y66 WeakPolarHBondContact O-CA 3.43Å; N58-Y67 HydrophobicContact CB-CD2 4.24Å; N58-Y67 PolarHBondContact O-N 2.92Å; N58-Y67 VanDerWaalsContact O-N 3.13Å |
| 59 | M | 85.3 | Confident | 90.9 | Very high | 135 Ų | 135 | 55.7 Ų | 55.7 | 67% | 0.665 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 130.8 | 170.5 | -167.4 | -179.4 | 79.4 | 0 | 0 | 108.9 | P61 T65 | M59-P61 VanDerWaalsContact O-CD 3.27Å; M59-P61 WeakPolarHBondContact O-CD 3.44Å; M59-T65 CarbonylContact C-O 3.5Å; M59-T65 WeakPolarHBondContact CA-O 3.37Å; M59-T65 WeakPolarHBondContact CG-O 3.39Å |
| 60 | D | 81 | Confident | 90.8 | Very high | 27 Ų | 27 | 55.7 Ų | 55.7 | 14% | 0.144 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 110.7 | 164.8 | -179.1 | -17.4 | 0 | 0 | 0 | 108.3 | V62 H63 K64 T65 Y67 | D60-V62 VanDerWaalsContact C-N 3.26Å; D60-V62 PolarHBondContact O-N 3.16Å; D60-V62 WeakPolarHBondContact OD1-CB 3.37Å; D60-V62 PolarHBondContact OD1-N 2.93Å; D60-H63 PolarHBondContact OD1-N 3.1Å; D60-H63 IonicContact OD1-ND1 3.72Å; D60-H63 IonicContact OD2-CE1 3.82Å; D60-H63 IonicContact OD2-CG 3.54Å; D60-H63 IonicContact OD2-ND1 2.73Å; D60-H63 PolarHBondContact OD2-ND1 3.5Å; D60-K64 WeakPolarHBondContact O-CA 3.4Å; D60-K64 PolarHBondContact O-N 2.83Å; D60-T65 PolarHBondContact N-O 2.85Å; D60-T65 PolarHBondContact O-N 3.35Å; D60-Y67 HydrophobicContact CB-CE2 4.2Å |
| 61 | P | 81.5 | Confident | 90.7 | Very high | 99 Ų | 99 | 59.3 Ų | 59.3 | 64% | 0.643 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -21.6 | -176.4 | 30.9 | -35.3 | 0 | 0 | 0 | 113 | M59 | M59-P61 VanDerWaalsContact O-CD 3.27Å; M59-P61 WeakPolarHBondContact O-CD 3.44Å |
| 62 | V | 83.8 | Confident | 90.5 | Very high | 112 Ų | 112 | 60 Ų | 60 | 68% | 0.679 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -51.3 | -177.1 | -179.8 | 0 | 0 | 0 | 0 | 109.8 | D60 | D60-V62 VanDerWaalsContact C-N 3.26Å; D60-V62 PolarHBondContact O-N 3.16Å; D60-V62 WeakPolarHBondContact OD1-CB 3.37Å; D60-V62 PolarHBondContact OD1-N 2.93Å |
| 63 | H | 83.9 | Confident | 90.3 | Very high | 128 Ų | 128 | 67 Ų | 67 | 59% | 0.593 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -5.6 | -176.8 | -56.1 | 100.5 | 0 | 0 | 0 | 113.3 | D60 T65 | D60-H63 PolarHBondContact OD1-N 3.1Å; D60-H63 IonicContact OD1-ND1 3.72Å; D60-H63 IonicContact OD2-CE1 3.82Å; D60-H63 IonicContact OD2-CG 3.54Å; D60-H63 IonicContact OD2-ND1 2.73Å; D60-H63 PolarHBondContact OD2-ND1 3.5Å; H63-T65 HydrophobicContact CB-CG2 4.17Å; H63-T65 PolarHBondContact O-N 3.5Å |
| 64 | K | 88.9 | Confident | 90.1 | Very high | 166 Ų | 166 | 73.9 Ų | 73.9 | 72% | 0.722 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 33.6 | -175.4 | -56.4 | -179.7 | -179.3 | 178.1 | 0 | 112.4 | D60 | D60-K64 WeakPolarHBondContact O-CA 3.4Å; D60-K64 PolarHBondContact O-N 2.83Å |
| 65 | T | 92.9 | Very high | 90 | Very high | 6 Ų | 6 | 73.7 Ų | 73.7 | 4% | 0.037 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 170.2 | 174.7 | 55.6 | 0 | 0 | 0 | 0 | 109.7 | M59 D60 H63 F99 N101 | M59-T65 CarbonylContact C-O 3.5Å; M59-T65 WeakPolarHBondContact CA-O 3.37Å; M59-T65 WeakPolarHBondContact CG-O 3.39Å; D60-T65 PolarHBondContact N-O 2.85Å; D60-T65 PolarHBondContact O-N 3.35Å; H63-T65 HydrophobicContact CB-CG2 4.17Å; H63-T65 PolarHBondContact O-N 3.5Å; T65-F99 CarbonylContact C-O 3.59Å; T65-F99 WeakPolarHBondContact CA-O 3.3Å; T65-F99 WeakPolarHBondContact CB-O 3.23Å; T65-N101 HydrophobicContact CG2-CB 4.01Å |
| 66 | Y | 93.4 | Very high | 90 | Very high | 37 Ų | 37 | 70.4 Ų | 70.4 | 15% | 0.145 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 167.5 | 175.1 | 62.2 | -88.4 | 0 | 0 | 0 | 111.7 | I56 N58 G98 F99 Q108 V109 | I56-Y66 HydrophobicContact CG2-CD2 3.6Å; I56-Y66 HydrophobicContact CG2-CE2 3.88Å; I56-Y66 HydrophobicContact CG2-CG 4.48Å; N58-Y66 WeakPolarHBondContact O-CA 3.43Å; Y66-G98 PolarHBondContact O-N 2.77Å; Y66-F99 HydrophobicContact CD1-CB 3.9Å; Y66-F99 WeakPolarHBondContact CD1-O 3.12Å; Y66-F99 HydrophobicContact CD2-CB 3.72Å; Y66-F99 HydrophobicContact CD2-CD2 4.39Å; Y66-F99 HydrophobicContact CD2-CG 4.33Å; Y66-F99 HydrophobicContact CE1-CB 3.53Å; Y66-F99 HydrophobicContact CE2-CB 3.36Å; Y66-F99 HydrophobicContact CE2-CD2 4.26Å; Y66-F99 AromaticContact CE2-CG 3.87Å; Y66-F99 HydrophobicContact CE2-CG 3.87Å; Y66-F99 HydrophobicContact CG-CB 4Å; Y66-F99 PolarHBondContact N-O 3.27Å; Y66-F99 PolarHBondContact O-N 3.01Å; Y66-Q108 VanDerWaalsContact CE1-OE1 3.27Å; Y66-Q108 PolarHBondContact OH-OE1 3.3Å; Y66-V109 HydrophobicContact CE2-CG2 4.14Å; Y66-V109 PolarHBondContact OH-N 3.46Å; Y66-V109 VanDerWaalsContact OH-N 3.16Å |
| 67 | Y | 92.8 | Very high | 90 | Very high | 15 Ų | 15 | 69 Ų | 69 | 6% | 0.059 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 153.8 | -179.8 | -62.4 | -97.2 | 0 | 0 | 0 | 111.4 | F57 N58 D60 T95 I96 E133 M135 | F57-Y67 PolarHBondContact N-O 3.05Å; F57-Y67 CarbonylContact O-C 3.46Å; F57-Y67 WeakPolarHBondContact O-CA 3.31Å; F57-Y67 WeakPolarHBondContact O-CB 3.25Å; F57-Y67 PolarHBondContact O-N 2.94Å; N58-Y67 HydrophobicContact CB-CD2 4.24Å; N58-Y67 PolarHBondContact O-N 2.92Å; N58-Y67 VanDerWaalsContact O-N 3.13Å; D60-Y67 HydrophobicContact CB-CE2 4.2Å; Y67-T95 HydrophobicContact CD1-CG2 4.11Å; Y67-I96 CarbonylContact C-O 3.56Å; Y67-I96 VanDerWaalsContact CA-O 3.3Å; Y67-I96 WeakPolarHBondContact CA-O 3.5Å; Y67-E133 WeakPolarHBondContact CE1-OE2 3.26Å; Y67-M135 HydrophobicContact CE1-SD 4.13Å |
| 68 | C | 93.8 | Very high | 90 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 143.7 | 175 | -62.6 | 0 | 0 | 0 | 0 | 110.3 | V53 E55 V70 I96 F99 | V53-C68 HydrophobicContact CG1-CB 4.15Å; E55-C68 CarbonylContact O-C 3.51Å; E55-C68 VanDerWaalsContact O-CA 3.26Å; E55-C68 WeakPolarHBondContact O-CA 3.17Å; C68-V70 HydrophobicContact CB-CG2 4.16Å; C68-I96 PolarHBondContact N-O 3.13Å; C68-I96 PolarHBondContact O-N 3.04Å; C68-F99 HydrophobicContact CB-CD2 4.13Å; C68-F99 HydrophobicContact CB-CE2 3.57Å; C68-F99 HydrophobicContact CB-CZ 4.15Å; C68-F99 VanDerWaalsContact SG-CD2 3.56Å; C68-F99 VanDerWaalsContact SG-CE2 3.55Å |
| 69 | K | 92.6 | Very high | 90.3 | Very high | 37 Ų | 37 | 68.9 Ų | 68.9 | 16% | 0.161 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 122.4 | 165.1 | -170.5 | 177.9 | -75.2 | -177.3 | 0 | 106.9 | D54 E55 F57 D89 K93 | D54-K69 WeakPolarHBondContact CB-O 3.43Å; D54-K69 PolarHBondContact N-O 2.86Å; E55-K69 HydrophobicContact CB-CB 4.18Å; E55-K69 PolarHBondContact N-O 3.49Å; E55-K69 PolarHBondContact O-N 3.27Å; F57-K69 HydrophobicContact CD1-CB 4.32Å; F57-K69 HydrophobicContact CE1-CB 3.84Å; K69-D89 IonicContact NZ-OD2 3.31Å; K69-D89 PolarHBondContact NZ-OD2 3.28Å; K69-K93 HydrophobicContact CD-CD 3.74Å; K69-K93 HydrophobicContact CG-CB 4.26Å; K69-K93 HydrophobicContact CG-CD 4.04Å |
| 70 | V | 94.1 | Very high | 90 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 127.8 | -175.9 | 178.2 | 0 | 0 | 0 | 0 | 109.7 | T52 V53 C68 V72 K93 V94 I96 F117 | T52-V70 WeakPolarHBondContact O-CA 3.44Å; V53-V70 HydrophobicContact CG2-CG2 4.27Å; C68-V70 HydrophobicContact CB-CG2 4.16Å; V70-V72 PolarHBondContact O-N 3.33Å; V70-K93 CarbonylContact O-C 3.54Å; V70-K93 VanDerWaalsContact O-CA 3.26Å; V70-K93 WeakPolarHBondContact O-CA 3.24Å; V70-V94 HydrophobicContact CB-CG2 4.29Å; V70-V94 PolarHBondContact N-O 3.06Å; V70-V94 PolarHBondContact O-N 3.42Å; V70-I96 HydrophobicContact CB-CD1 3.99Å; V70-I96 HydrophobicContact CB-CG1 4.48Å; V70-I96 HydrophobicContact CG1-CD1 4.34Å; V70-I96 HydrophobicContact CG2-CB 4.5Å; V70-I96 HydrophobicContact CG2-CD1 3.8Å; V70-I96 HydrophobicContact CG2-CG1 4.22Å; V70-F117 HydrophobicContact CG1-CE2 3.93Å; V70-F117 HydrophobicContact CG1-CZ 4.11Å; V70-F117 HydrophobicContact CG2-CZ 4.27Å |
| 71 | R | 93.9 | Very high | 89.6 | Confident | 87 Ų | 87 | 70 Ų | 70 | 33% | 0.328 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 112.8 | 170.9 | -166.1 | -167.4 | -27.7 | -74.3 | -9.6 | 108.5 | G51 T52 D54 | G51-R71 CarbonylContact C-O 3.55Å; G51-R71 WeakPolarHBondContact CA-O 3.48Å; T52-R71 PolarHBondContact N-O 3.07Å; T52-R71 PolarHBondContact O-N 3.36Å; D54-R71 IonicContact OD1-CZ 3.55Å; D54-R71 IonicContact OD1-NH1 3.68Å; D54-R71 IonicContact OD1-NH2 2.68Å; D54-R71 PolarHBondContact OD1-NH2 3.47Å; D54-R71 IonicContact OD2-NH1 3.96Å |
| 72 | V | 93.3 | Very high | 89.1 | Confident | 14 Ų | 14 | 66 Ų | 66 | 9% | 0.085 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 136.3 | -177 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | L49 V70 Y75 N92 V94 | L49-V72 HydrophobicContact CB-CG1 4.41Å; L49-V72 HydrophobicContact CD1-CG1 4.48Å; L49-V72 HydrophobicContact CD1-CG2 4.33Å; L49-V72 HydrophobicContact CD2-CG2 4.28Å; V70-V72 PolarHBondContact O-N 3.33Å; V72-Y75 HydrophobicContact CG1-CD2 4.11Å; V72-Y75 HydrophobicContact CG1-CE1 4.26Å; V72-Y75 HydrophobicContact CG1-CE2 3.71Å; V72-N92 PolarHBondContact N-O 3.29Å; V72-V94 HydrophobicContact CG2-CB 4.31Å; V72-V94 HydrophobicContact CG2-CG1 3.79Å; V72-V94 HydrophobicContact CG2-CG2 3.6Å |
| 73 | W | 93.9 | Very high | 88.1 | Confident | 166 Ų | 166 | 65 Ų | 65 | 63% | 0.629 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -59.1 | 174.7 | -68.4 | 30.1 | 0 | 0 | 0 | 109.9 | T50 T52 T114 | T50-W73 PolarHBondContact O-N 2.98Å; T52-W73 WeakPolarHBondContact OG1-CZ2 3.27Å; T52-W73 PolarHBondContact OG1-NE1 3.12Å; W73-T114 HydrophobicContact CH2-CG2 4.34Å; W73-T114 HydrophobicContact CZ2-CG2 4.07Å |
| 74 | R | 92.6 | Very high | 86.7 | Confident | 147 Ų | 147 | 69.7 Ų | 69.7 | 56% | 0.555 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147 | 141.2 | 179.2 | -176.2 | 174.7 | 173.8 | -152.4 | -7 | 110.8 | L49 T50 L76 E152 | L49-R74 WeakPolarHBondContact CA-O 3.46Å; T50-R74 PolarHBondContact N-O 2.67Å; T50-R74 PolarHBondContact OG1-N 3.15Å; T50-R74 VanDerWaalsContact OG1-N 3.09Å; T50-R74 PolarHBondContact OG1-O 2.88Å; R74-L76 HydrophobicContact CG-CD2 4.39Å; R74-E152 IonicContact CZ-OE1 3.2Å; R74-E152 IonicContact NH1-OE1 2.7Å; R74-E152 PolarHBondContact NH1-OE1 2.69Å; R74-E152 IonicContact NH2-OE1 3.2Å; R74-E152 PolarHBondContact NH2-OE1 3.42Å |
| 75 | Y | 93.3 | Very high | 84.8 | Confident | 42 Ų | 42 | 66.5 Ų | 66.5 | 17% | 0.165 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 130 | 166.4 | -66.8 | -83.7 | 0 | 0 | 0 | 109.1 | L49 V72 K79 I82 | L49-Y75 HydrophobicContact CB-CD1 3.75Å; L49-Y75 HydrophobicContact CB-CE1 4.05Å; L49-Y75 HydrophobicContact CB-CG 4.46Å; L49-Y75 HydrophobicContact CD2-CD1 4.1Å; L49-Y75 HydrophobicContact CD2-CE1 3.56Å; L49-Y75 HydrophobicContact CG-CE1 4.47Å; V72-Y75 HydrophobicContact CG1-CD2 4.11Å; V72-Y75 HydrophobicContact CG1-CE1 4.26Å; V72-Y75 HydrophobicContact CG1-CE2 3.71Å; Y75-K79 HydrophobicContact CD1-CB 4.48Å; Y75-K79 HydrophobicContact CD2-CB 4.24Å; Y75-K79 HydrophobicContact CD2-CD 3.92Å; Y75-K79 HydrophobicContact CD2-CG 3.7Å; Y75-K79 HydrophobicContact CE2-CG 4.26Å; Y75-K79 HydrophobicContact CG-CB 3.91Å; Y75-K79 HydrophobicContact CG-CD 4.36Å; Y75-K79 HydrophobicContact CG-CG 3.9Å; Y75-I82 HydrophobicContact CD1-CD1 3.73Å; Y75-I82 HydrophobicContact CE1-CD1 3.08Å |
| 76 | L | 94.7 | Very high | 83.1 | Confident | 24 Ų | 24 | 66.8 Ų | 66.8 | 13% | 0.126 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -37.2 | 173.9 | -54.5 | -179.3 | 0 | 0 | 0 | 110.1 | V48 T50 R74 I116 L148 V151 E152 | V48-L76 HydrophobicContact CB-CB 4.27Å; V48-L76 HydrophobicContact CG1-CB 4.12Å; V48-L76 HydrophobicContact CG1-CD1 4.15Å; V48-L76 PolarHBondContact O-N 3.35Å; T50-L76 HydrophobicContact CG2-CD1 4.15Å; T50-L76 HydrophobicContact CG2-CG 4.44Å; R74-L76 HydrophobicContact CG-CD2 4.39Å; L76-I116 HydrophobicContact CD1-CG2 4.15Å; L76-L148 HydrophobicContact CD1-CD2 4.22Å; L76-V151 HydrophobicContact CD1-CB 4.34Å; L76-V151 HydrophobicContact CD1-CG1 3.65Å; L76-E152 HydrophobicContact CD2-CG 4.12Å |
| 77 | K | 93.8 | Very high | 81.4 | Confident | 38 Ų | 38 | 68.5 Ų | 68.5 | 17% | 0.165 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 149.6 | 176.4 | -179.5 | 171.6 | -175.7 | 170.7 | 0 | 111.5 | E42 A45 V48 K79 V155 E158 | E42-K77 VanDerWaalsContact CD-NZ 3.33Å; E42-K77 PolarHBondContact O-NZ 3.43Å; E42-K77 WeakPolarHBondContact OE1-CD 3.39Å; E42-K77 WeakPolarHBondContact OE1-CE 3.28Å; E42-K77 IonicContact OE1-NZ 2.71Å; E42-K77 PolarHBondContact OE1-NZ 3.31Å; E42-K77 IonicContact OE2-NZ 2.86Å; A45-K77 WeakPolarHBondContact O-CD 3.4Å; A45-K77 WeakPolarHBondContact O-CE 3.4Å; V48-K77 HydrophobicContact CB-CB 3.88Å; V48-K77 HydrophobicContact CG2-CB 3.98Å; V48-K77 HydrophobicContact CG2-CD 4.32Å; V48-K77 PolarHBondContact N-O 3.03Å; V48-K77 VanDerWaalsContact N-O 3.15Å; V48-K77 PolarHBondContact O-N 2.83Å; K77-K79 PolarHBondContact O-N 2.82Å; K77-V155 HydrophobicContact CB-CG1 4.11Å; K77-V155 HydrophobicContact CB-CG2 4.11Å; K77-V155 HydrophobicContact CD-CG2 4.37Å; K77-V155 HydrophobicContact CG-CG1 4.45Å; K77-E158 IonicContact NZ-OE2 3.32Å; K77-E158 PolarHBondContact NZ-OE2 2.8Å |
| 78 | G | 89.4 | Confident | 79.9 | Confident | 17 Ų | 17 | 72.1 Ų | 72.1 | 18% | 0.175 | 35% | 0.346 | C | S | . | . | trans | 74.9 | 17.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | N46 S80 S81 | N46-G78 WeakPolarHBondContact O-CA 3.24Å; G78-S80 VanDerWaalsContact C-N 3.27Å; G78-S80 PolarHBondContact O-N 2.81Å; G78-S81 WeakPolarHBondContact O-CB 3.36Å; G78-S81 PolarHBondContact O-N 2.85Å; G78-S81 VanDerWaalsContact O-N 3.12Å | ||
| 79 | K | 86.6 | Confident | 78.3 | Confident | 150 Ų | 150 | 76.3 Ų | 76.3 | 65% | 0.652 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -56.3 | -39.2 | -179.6 | -173 | 179.6 | -178.2 | -177.3 | 0 | 113.1 | Y75 K77 S81 | Y75-K79 HydrophobicContact CD1-CB 4.48Å; Y75-K79 HydrophobicContact CD2-CB 4.24Å; Y75-K79 HydrophobicContact CD2-CD 3.92Å; Y75-K79 HydrophobicContact CD2-CG 3.7Å; Y75-K79 HydrophobicContact CE2-CG 4.26Å; Y75-K79 HydrophobicContact CG-CB 3.91Å; Y75-K79 HydrophobicContact CG-CD 4.36Å; Y75-K79 HydrophobicContact CG-CG 3.9Å; K77-K79 PolarHBondContact O-N 2.82Å; K79-S81 VanDerWaalsContact C-N 3.34Å |
| 80 | S | 80.3 | Confident | 76.9 | Confident | 115 Ų | 115 | 78.4 Ų | 78.4 | 80% | 0.804 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -72 | -27.2 | -179.6 | 47.1 | 0 | 0 | 0 | 0 | 113.2 | G78 I82 | G78-S80 VanDerWaalsContact C-N 3.27Å; G78-S80 PolarHBondContact O-N 2.81Å; S80-I82 PolarHBondContact O-N 3.43Å |
| 81 | S | 71.2 | Confident | 75.7 | Confident | 69 Ų | 69 | 80.2 Ų | 80.2 | 48% | 0.483 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -74.3 | -15.7 | 179.3 | -50.2 | 0 | 0 | 0 | 0 | 112.8 | G78 K79 N83 | G78-S81 WeakPolarHBondContact O-CB 3.36Å; G78-S81 PolarHBondContact O-N 2.85Å; G78-S81 VanDerWaalsContact O-N 3.12Å; K79-S81 VanDerWaalsContact C-N 3.34Å; S81-N83 PolarHBondContact O-N 3.25Å |
| 82 | I | 72 | Confident | 75.1 | Confident | 16 Ų | 16 | 79.4 Ų | 79.4 | 8% | 0.082 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -85.9 | 109.7 | 177.2 | -60.5 | 170.4 | 0 | 0 | 0 | 107.9 | V47 Y75 S80 I86 | V47-I82 HydrophobicContact CG1-CD1 3.77Å; V47-I82 HydrophobicContact CG1-CG1 4.46Å; V47-I82 HydrophobicContact CG2-CD1 4.16Å; V47-I82 HydrophobicContact CG2-CG1 3.96Å; Y75-I82 HydrophobicContact CD1-CD1 3.73Å; Y75-I82 HydrophobicContact CE1-CD1 3.08Å; S80-I82 PolarHBondContact O-N 3.43Å; I82-I86 HydrophobicContact CG2-CB 3.92Å; I82-I86 HydrophobicContact CG2-CD1 3.67Å; I82-I86 HydrophobicContact CG2-CG1 4.29Å; I82-I86 HydrophobicContact CG2-CG2 4.22Å |
| 83 | N | 62.6 | Low | 74.9 | Confident | 92 Ų | 92 | 80.2 Ų | 80.2 | 49% | 0.492 | 42% | 0.424 | S | S | . | . | trans | -57.6 | 141.8 | 178.3 | -161.9 | -12.9 | 0 | 0 | 0 | 110.3 | S81 V85 I86 | S81-N83 PolarHBondContact O-N 3.25Å; N83-V85 PolarHBondContact O-N 2.79Å; N83-I86 PolarHBondContact O-N 2.85Å | ||
| 84 | R | 55.3 | Low | 74.7 | Confident | 226 Ų | 226 | 72.4 Ų | 72.4 | 85% | 0.853 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -55.9 | -15.3 | 179.3 | -66 | -173.8 | -166.3 | -153.7 | 3 | 113.4 | I86 | R84-I86 VanDerWaalsContact C-N 3.33Š|
| 85 | V | 48.9 | Very low | 74.6 | Confident | 98 Ų | 98 | 66.1 Ų | 66.1 | 59% | 0.594 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -70.8 | -22 | 178.2 | -176.3 | 0 | 0 | 0 | 0 | 113.1 | N83 L87 | N83-V85 PolarHBondContact O-N 2.79Å; V85-L87 PolarHBondContact O-N 2.87Å |
| 86 | I | 56.6 | Low | 74.6 | Confident | 12 Ų | 12 | 64.1 Ų | 64.1 | 6% | 0.062 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -78 | -9.6 | -175.4 | -61.4 | 170.5 | 0 | 0 | 0 | 112.8 | I82 N83 R84 L88 V94 L121 N132 | I82-I86 HydrophobicContact CG2-CB 3.92Å; I82-I86 HydrophobicContact CG2-CD1 3.67Å; I82-I86 HydrophobicContact CG2-CG1 4.29Å; I82-I86 HydrophobicContact CG2-CG2 4.22Å; N83-I86 PolarHBondContact O-N 2.85Å; R84-I86 VanDerWaalsContact C-N 3.33Å; I86-L88 VanDerWaalsContact C-N 3.35Å; I86-L88 PolarHBondContact O-N 3.18Å; I86-V94 HydrophobicContact CG2-CB 4.38Å; I86-V94 HydrophobicContact CG2-CG1 4.12Å; I86-L121 HydrophobicContact CD1-CD2 4.28Å; I86-N132 HydrophobicContact CD1-CB 3.83Å; I86-N132 WeakPolarHBondContact CD1-O 3.27Å; I86-N132 HydrophobicContact CG1-CB 3.51Å; I86-N132 WeakPolarHBondContact CG1-O 3.24Å |
| 87 | L | 58.7 | Low | 74.5 | Confident | 74 Ų | 74 | 63 Ų | 63 | 39% | 0.387 | 36% | 0.359 | S | S | . | . | trans | -79.4 | 79 | -176.1 | -61.9 | -177.5 | 0 | 0 | 0 | 111.8 | V85 G91 | V85-L87 PolarHBondContact O-N 2.87Å; L87-G91 WeakPolarHBondContact CD2-O 3.46Å | ||
| 88 | L | 60.1 | Low | 74.5 | Confident | 91 Ų | 91 | 61.2 Ų | 61.2 | 48% | 0.476 | 35% | 0.352 | S | S | . | . | B | Isolated β-bridge | trans | -71.8 | 151.5 | 167.8 | -64.5 | 170.8 | 0 | 0 | 0 | 110 | I86 | I86-L88 VanDerWaalsContact C-N 3.35Å; I86-L88 PolarHBondContact O-N 3.18Å |
| 89 | D | 60.7 | Low | 74.8 | Confident | 87 Ų | 87 | 60.4 Ų | 60.4 | 47% | 0.465 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 54.2 | 173.5 | -69.3 | -19.2 | 0 | 0 | 0 | 115.6 | K69 K93 | K69-D89 IonicContact NZ-OD2 3.31Å; K69-D89 PolarHBondContact NZ-OD2 3.28Å; D89-K93 HydrophobicContact CB-CB 4.47Å; D89-K93 HydrophobicContact CB-CD 3.75Å; D89-K93 HydrophobicContact CB-CG 4.21Å; D89-K93 IonicContact OD2-NZ 2.93Å; D89-K93 PolarHBondContact OD2-NZ 3.29Å |
| 90 | G | 62.6 | Low | 75.2 | Confident | 82 Ų | 82 | 54.2 Ų | 54.2 | 85% | 0.845 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | 21.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 91 | G | 69.9 | Low | 75.8 | Confident | 37 Ų | 37 | 50.8 Ų | 50.8 | 38% | 0.381 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.3 | -8.4 | 164 | 0 | 0 | 0 | 0 | 0 | 116.5 | L87 | L87-G91 WeakPolarHBondContact CD2-O 3.46Š|
| 92 | N | 81.3 | Confident | 76.9 | Confident | 71 Ų | 71 | 52.9 Ų | 52.9 | 38% | 0.38 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.7 | 13.6 | -171.8 | 72.1 | -23.9 | 0 | 0 | 0 | 114.7 | V72 | V72-N92 PolarHBondContact N-O 3.29Š|
| 93 | K | 88.9 | Confident | 77.8 | Confident | 31 Ų | 31 | 63 Ų | 63 | 14% | 0.135 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 144.9 | 171.4 | -54 | -167.1 | -162.7 | 174 | 0 | 111.1 | D54 K69 V70 D89 | D54-K93 VanDerWaalsContact OD2-CE 3.3Å; D54-K93 WeakPolarHBondContact OD2-CE 3.28Å; D54-K93 IonicContact OD2-NZ 3.87Å; D54-K93 PolarHBondContact OD2-NZ 3.32Å; K69-K93 HydrophobicContact CD-CD 3.74Å; K69-K93 HydrophobicContact CG-CB 4.26Å; K69-K93 HydrophobicContact CG-CD 4.04Å; V70-K93 CarbonylContact O-C 3.54Å; V70-K93 VanDerWaalsContact O-CA 3.26Å; V70-K93 WeakPolarHBondContact O-CA 3.24Å; D89-K93 HydrophobicContact CB-CB 4.47Å; D89-K93 HydrophobicContact CB-CD 3.75Å; D89-K93 HydrophobicContact CB-CG 4.21Å; D89-K93 IonicContact OD2-NZ 2.93Å; D89-K93 PolarHBondContact OD2-NZ 3.29Å |
| 94 | V | 89.1 | Confident | 79.4 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 150.4 | 177.7 | -60.2 | 0 | 0 | 0 | 0 | 109.9 | L49 V70 V72 I86 I96 L134 | L49-V94 HydrophobicContact CD2-CG2 4.34Å; V70-V94 HydrophobicContact CB-CG2 4.29Å; V70-V94 PolarHBondContact N-O 3.06Å; V70-V94 PolarHBondContact O-N 3.42Å; V72-V94 HydrophobicContact CG2-CB 4.31Å; V72-V94 HydrophobicContact CG2-CG1 3.79Å; V72-V94 HydrophobicContact CG2-CG2 3.6Å; I86-V94 HydrophobicContact CG2-CB 4.38Å; I86-V94 HydrophobicContact CG2-CG1 4.12Å; V94-I96 HydrophobicContact CG2-CD1 4.13Å; V94-I96 HydrophobicContact CG2-CG1 3.97Å; V94-L134 HydrophobicContact CB-CD1 4.34Å; V94-L134 HydrophobicContact CG2-CD1 4.36Å |
| 95 | T | 90.5 | Very high | 81.3 | Confident | 15 Ų | 15 | 50.6 Ų | 50.6 | 9% | 0.092 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 126.5 | 170.3 | -61.8 | 0 | 0 | 0 | 0 | 109 | F57 Y67 E133 L134 | F57-T95 HydrophobicContact CE1-CG2 4.43Å; F57-T95 HydrophobicContact CZ-CG2 3.66Å; Y67-T95 HydrophobicContact CD1-CG2 4.11Å; T95-E133 HydrophobicContact CG2-CG 4.4Å; T95-L134 PolarHBondContact O-N 2.92Å |
| 96 | I | 92.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 128.9 | 176.3 | -56.3 | -179.2 | 0 | 0 | 0 | 108.8 | L49 Y67 C68 V70 V94 F99 F117 L119 L134 | L49-I96 HydrophobicContact CD1-CD1 4.49Å; Y67-I96 CarbonylContact C-O 3.56Å; Y67-I96 VanDerWaalsContact CA-O 3.3Å; Y67-I96 WeakPolarHBondContact CA-O 3.5Å; C68-I96 PolarHBondContact N-O 3.13Å; C68-I96 PolarHBondContact O-N 3.04Å; V70-I96 HydrophobicContact CB-CD1 3.99Å; V70-I96 HydrophobicContact CB-CG1 4.48Å; V70-I96 HydrophobicContact CG1-CD1 4.34Å; V70-I96 HydrophobicContact CG2-CB 4.5Å; V70-I96 HydrophobicContact CG2-CD1 3.8Å; V70-I96 HydrophobicContact CG2-CG1 4.22Å; V94-I96 HydrophobicContact CG2-CD1 4.13Å; V94-I96 HydrophobicContact CG2-CG1 3.97Å; I96-F99 HydrophobicContact CB-CE2 3.8Å; I96-F99 HydrophobicContact CB-CZ 4.14Å; I96-F99 HydrophobicContact CG2-CE2 3.56Å; I96-F99 HydrophobicContact CG2-CZ 3.73Å; I96-F99 WeakPolarHBondContact O-CE2 3.48Å; I96-F117 HydrophobicContact CD1-CB 4.41Å; I96-F117 HydrophobicContact CD1-CD1 4.03Å; I96-F117 HydrophobicContact CD1-CE1 4.42Å; I96-F117 HydrophobicContact CD1-CG 4.09Å; I96-L119 HydrophobicContact CD1-CD1 3.69Å; I96-L119 HydrophobicContact CD1-CD2 4.26Å; I96-L119 HydrophobicContact CG1-CD1 4.2Å; I96-L119 HydrophobicContact CG2-CD2 3.61Å; I96-L134 CarbonylContact C-O 3.56Å; I96-L134 VanDerWaalsContact CA-O 3.24Å; I96-L134 WeakPolarHBondContact CA-O 3.43Å; I96-L134 HydrophobicContact CG1-CB 4.32Å |
| 97 | G | 92.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 178.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L134 L136 | G97-L134 PolarHBondContact N-O 2.84Å; G97-L136 PolarHBondContact O-N 3.25Å |
| 98 | G | 93.1 | Very high | 87.4 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 89.1 | 4.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115 | Y66 N101 | Y66-G98 PolarHBondContact O-N 2.77Å; G98-N101 WeakPolarHBondContact O-CB 3.46Å; G98-N101 PolarHBondContact O-N 2.98Å |
| 99 | F | 96.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 145.4 | 172.2 | -62.6 | -82.7 | 0 | 0 | 0 | 111.1 | T65 Y66 C68 I96 N101 N107 V109 F117 L136 L140 | T65-F99 CarbonylContact C-O 3.59Å; T65-F99 WeakPolarHBondContact CA-O 3.3Å; T65-F99 WeakPolarHBondContact CB-O 3.23Å; Y66-F99 HydrophobicContact CD1-CB 3.9Å; Y66-F99 WeakPolarHBondContact CD1-O 3.12Å; Y66-F99 HydrophobicContact CD2-CB 3.72Å; Y66-F99 HydrophobicContact CD2-CD2 4.39Å; Y66-F99 HydrophobicContact CD2-CG 4.33Å; Y66-F99 HydrophobicContact CE1-CB 3.53Å; Y66-F99 HydrophobicContact CE2-CB 3.36Å; Y66-F99 HydrophobicContact CE2-CD2 4.26Å; Y66-F99 AromaticContact CE2-CG 3.87Å; Y66-F99 HydrophobicContact CE2-CG 3.87Å; Y66-F99 HydrophobicContact CG-CB 4Å; Y66-F99 PolarHBondContact N-O 3.27Å; Y66-F99 PolarHBondContact O-N 3.01Å; C68-F99 HydrophobicContact CB-CD2 4.13Å; C68-F99 HydrophobicContact CB-CE2 3.57Å; C68-F99 HydrophobicContact CB-CZ 4.15Å; C68-F99 VanDerWaalsContact SG-CD2 3.56Å; C68-F99 VanDerWaalsContact SG-CE2 3.55Å; I96-F99 HydrophobicContact CB-CE2 3.8Å; I96-F99 HydrophobicContact CB-CZ 4.14Å; I96-F99 HydrophobicContact CG2-CE2 3.56Å; I96-F99 HydrophobicContact CG2-CZ 3.73Å; I96-F99 WeakPolarHBondContact O-CE2 3.48Å; F99-N101 VanDerWaalsContact C-N 3.28Å; F99-N101 PolarHBondContact O-N 2.83Å; F99-N107 WeakPolarHBondContact CA-O 3.44Å; F99-V109 HydrophobicContact CD1-CG1 4.12Å; F99-V109 HydrophobicContact CD1-CG2 3.71Å; F99-V109 HydrophobicContact CE1-CB 4.41Å; F99-V109 HydrophobicContact CE1-CG1 3.75Å; F99-V109 HydrophobicContact CE1-CG2 3.72Å; F99-V109 HydrophobicContact CG-CG2 4.25Å; F99-V109 HydrophobicContact CZ-CG2 4.27Å; F99-F117 HydrophobicContact CE1-CD1 4.42Å; F99-F117 AromaticContact CE1-CE1 3.98Å; F99-F117 HydrophobicContact CE1-CE1 3.98Å; F99-F117 HydrophobicContact CZ-CD1 4.23Å; F99-F117 AromaticContact CZ-CE1 3.82Å; F99-F117 HydrophobicContact CZ-CE1 3.82Å; F99-L136 HydrophobicContact CD1-CD2 4.36Å; F99-L140 HydrophobicContact CE1-CD1 4.35Å; F99-L140 HydrophobicContact CE1-CD2 4.04Å |
| 100 | G | 94.9 | Very high | 90.9 | Very high | 19 Ų | 19 | 45.5 Ų | 45.5 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 0.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | P102 N107 | G100-P102 WeakPolarHBondContact O-CD 3.42Å; G100-N107 WeakPolarHBondContact CA-OD1 3.26Å; G100-N107 PolarHBondContact N-O 3.03Å |
| 101 | N | 94 | Very high | 92.6 | Very high | 44 Ų | 44 | 46 Ų | 46 | 24% | 0.235 | 26% | 0.259 | C | S | . | . | trans | -63.2 | 116.6 | 179.3 | -179.9 | -11.2 | 0 | 0 | 0 | 111.2 | T65 G98 F99 R103 I104 N107 | T65-N101 HydrophobicContact CG2-CB 4.01Å; G98-N101 WeakPolarHBondContact O-CB 3.46Å; G98-N101 PolarHBondContact O-N 2.98Å; F99-N101 VanDerWaalsContact C-N 3.28Å; F99-N101 PolarHBondContact O-N 2.83Å; N101-R103 PolarHBondContact O-N 3.3Å; N101-R103 WeakPolarHBondContact OD1-CB 3.35Å; N101-R103 PolarHBondContact OD1-N 3.21Å; N101-I104 HydrophobicContact CB-CD1 4.28Å; N101-I104 HydrophobicContact CB-CG1 4.47Å; N101-I104 PolarHBondContact O-N 2.87Å; N101-N107 PolarHBondContact O-ND2 2.87Å | ||
| 102 | P | 92.9 | Very high | 93.9 | Very high | 113 Ų | 113 | 46.6 Ų | 46.6 | 73% | 0.734 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -8.6 | -173.7 | 28.8 | -36.9 | 0 | 0 | 0 | 114.4 | G100 I104 | G100-P102 WeakPolarHBondContact O-CD 3.42Å; P102-I104 VanDerWaalsContact C-N 3.33Å |
| 103 | R | 92.1 | Very high | 94.7 | Very high | 228 Ų | 228 | 45.1 Ų | 45.1 | 86% | 0.86 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -13.9 | 173.7 | -60.3 | -176.6 | -176.6 | 173 | 2.2 | 113.3 | N101 | N101-R103 PolarHBondContact O-N 3.3Å; N101-R103 WeakPolarHBondContact OD1-CB 3.35Å; N101-R103 PolarHBondContact OD1-N 3.21Å |
| 104 | I | 95.6 | Very high | 95.2 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 6% | 0.056 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -106 | 133.2 | -179.9 | -61.6 | 177.2 | 0 | 0 | 0 | 108 | N101 P102 N107 L136 S139 | N101-I104 HydrophobicContact CB-CD1 4.28Å; N101-I104 HydrophobicContact CB-CG1 4.47Å; N101-I104 PolarHBondContact O-N 2.87Å; P102-I104 VanDerWaalsContact C-N 3.33Å; I104-N107 HydrophobicContact CB-CB 3.93Å; I104-N107 HydrophobicContact CG2-CB 3.88Å; I104-N107 PolarHBondContact O-ND2 3.14Å; I104-L136 HydrophobicContact CD1-CB 4.17Å; I104-L136 HydrophobicContact CD1-CD2 3.84Å; I104-L136 HydrophobicContact CD1-CG 3.84Å; I104-L136 HydrophobicContact CG2-CD2 4.3Å; I104-S139 VanDerWaalsContact CG2-CA 3.45Å |
| 105 | C | 95.6 | Very high | 95.6 | Very high | 47 Ų | 47 | 47.2 Ų | 47.2 | 32% | 0.318 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -71.8 | -56 | -172.6 | -55.8 | 0 | 0 | 0 | 0 | 113.3 | C33 E35 S139 | C33-C105 HydrophobicContact CB-CB 3.64Å; C33-C105 WeakPolarHBondContact CB-SG 3.37Å; C33-C105 WeakPolarHBondContact SG-CA 3.25Å; C33-C105 WeakPolarHBondContact SG-CB 3.49Å; C33-C105 CovalentContact SG-SG 2Å; C33-C105 PolarHBondContact SG-SG 3.34Å; E35-C105 VanDerWaalsContact OE2-CB 3.23Å; E35-C105 WeakPolarHBondContact OE2-CB 3.33Å; E35-C105 PolarHBondContact OE2-SG 3.29Å; C105-S139 WeakPolarHBondContact CB-OG 3.41Å; C105-S139 PolarHBondContact N-OG 3.39Å; C105-S139 VanDerWaalsContact N-OG 3.13Å |
| 106 | D | 96.9 | Very high | 96 | Very high | 62 Ų | 62 | 46.5 Ų | 46.5 | 33% | 0.332 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -101.6 | 97.9 | 172 | -168.1 | -5.9 | 0 | 0 | 0 | 108.8 | S139 L140 | D106-S139 PolarHBondContact N-OG 3.47Å; D106-S139 WeakPolarHBondContact O-CA 3.46Å; D106-L140 HydrophobicContact CB-CB 4.48Å; D106-L140 WeakPolarHBondContact O-CG 3.23Å; D106-L140 PolarHBondContact O-N 2.72Å |
| 107 | N | 96.8 | Very high | 96.3 | Very high | 20 Ų | 20 | 46.5 Ų | 46.5 | 11% | 0.107 | 26% | 0.263 | C | S | . | . | trans | -127.9 | 5.9 | -169.7 | 68.1 | 39.5 | 0 | 0 | 0 | 113.8 | F99 G100 N101 I104 L136 | F99-N107 WeakPolarHBondContact CA-O 3.44Å; G100-N107 WeakPolarHBondContact CA-OD1 3.26Å; G100-N107 PolarHBondContact N-O 3.03Å; N101-N107 PolarHBondContact O-ND2 2.87Å; I104-N107 HydrophobicContact CB-CB 3.93Å; I104-N107 HydrophobicContact CG2-CB 3.88Å; I104-N107 PolarHBondContact O-ND2 3.14Å; N107-L136 HydrophobicContact CB-CD2 4.48Å | ||
| 108 | Q | 96.9 | Very high | 96.5 | Very high | 107 Ų | 107 | 46.5 Ų | 46.5 | 50% | 0.5 | 26% | 0.263 | S | S | . | . | trans | -110.7 | 143.8 | -175.1 | -64 | -66.3 | 5.9 | 0 | 0 | 111.4 | Y66 L140 | Y66-Q108 VanDerWaalsContact CE1-OE1 3.27Å; Y66-Q108 PolarHBondContact OH-OE1 3.3Å; Q108-L140 WeakPolarHBondContact O-CD1 3.33Å | ||
| 109 | V | 97.9 | Very high | 96.6 | Very high | 14 Ų | 14 | 46.4 Ų | 46.4 | 9% | 0.085 | 26% | 0.262 | C | S | . | . | trans | -138.9 | 156.3 | 173.9 | -67.3 | 0 | 0 | 0 | 0 | 111.2 | V53 I56 Y66 F99 D113 L140 | V53-V109 HydrophobicContact CG2-CB 3.96Å; V53-V109 HydrophobicContact CG2-CG1 4.22Å; V53-V109 HydrophobicContact CG2-CG2 3.98Å; I56-V109 WeakPolarHBondContact CD1-O 3.36Å; Y66-V109 HydrophobicContact CE2-CG2 4.14Å; Y66-V109 PolarHBondContact OH-N 3.46Å; Y66-V109 VanDerWaalsContact OH-N 3.16Å; F99-V109 HydrophobicContact CD1-CG1 4.12Å; F99-V109 HydrophobicContact CD1-CG2 3.71Å; F99-V109 HydrophobicContact CE1-CB 4.41Å; F99-V109 HydrophobicContact CE1-CG1 3.75Å; F99-V109 HydrophobicContact CE1-CG2 3.72Å; F99-V109 HydrophobicContact CG-CG2 4.25Å; F99-V109 HydrophobicContact CZ-CG2 4.27Å; V109-D113 HydrophobicContact CB-CB 4.4Å; V109-L140 HydrophobicContact CG1-CD1 3.43Å; V109-L140 VanDerWaalsContact CG1-CD1 3.43Å | ||
| 110 | A | 97.8 | Very high | 96.4 | Very high | 51 Ų | 51 | 47.9 Ų | 47.9 | 42% | 0.421 | 27% | 0.27 | S | S | . | . | trans | -113.9 | 161.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | G112 D113 | A110-G112 PolarHBondContact O-N 3.04Å; A110-D113 PolarHBondContact N-OD2 2.87Å; A110-D113 VanDerWaalsContact O-CB 3.25Å; A110-D113 WeakPolarHBondContact O-CB 3.36Å; A110-D113 PolarHBondContact O-N 3.38Å | ||
| 111 | T | 98.1 | Very high | 96 | Very high | 94 Ų | 94 | 51 Ų | 51 | 58% | 0.577 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 132.8 | 170.9 | -56.1 | 0 | 0 | 0 | 0 | 110.6 | D54 D113 | D54-T111 VanDerWaalsContact O-CG2 3.27Å; D54-T111 WeakPolarHBondContact O-CG2 3.43Å; T111-D113 VanDerWaalsContact C-N 3.34Å |
| 112 | G | 97.8 | Very high | 95.3 | Very high | 48 Ų | 48 | 49.7 Ų | 49.7 | 50% | 0.495 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | -9.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T52 V53 A110 T114 | T52-G112 WeakPolarHBondContact CG2-O 3.3Å; V53-G112 PolarHBondContact O-N 3.47Å; A110-G112 PolarHBondContact O-N 3.04Å; G112-T114 PolarHBondContact O-N 2.77Å |
| 113 | D | 98.3 | Very high | 94.1 | Very high | 40 Ų | 40 | 48.1 Ų | 48.1 | 21% | 0.214 | 27% | 0.267 | C | S | . | . | trans | -63 | 134.8 | 174.3 | -90.4 | -39.9 | 0 | 0 | 0 | 111.3 | T52 V53 V109 A110 T111 R115 | T52-D113 CarbonylContact C-O 3.37Å; T52-D113 VanDerWaalsContact CA-O 3.27Å; T52-D113 WeakPolarHBondContact CA-O 3.12Å; V53-D113 HydrophobicContact CG2-CB 4.4Å; V53-D113 PolarHBondContact N-O 2.93Å; V109-D113 HydrophobicContact CB-CB 4.4Å; A110-D113 PolarHBondContact N-OD2 2.87Å; A110-D113 VanDerWaalsContact O-CB 3.25Å; A110-D113 WeakPolarHBondContact O-CB 3.36Å; A110-D113 PolarHBondContact O-N 3.38Å; T111-D113 VanDerWaalsContact C-N 3.34Å; D113-R115 IonicContact OD1-CZ 3.4Å; D113-R115 VanDerWaalsContact OD1-CZ 3.31Å; D113-R115 IonicContact OD1-NH1 3.29Å; D113-R115 PolarHBondContact OD1-NH1 3.12Å; D113-R115 IonicContact OD1-NH2 3.64Å; D113-R115 PolarHBondContact OD1-NH2 2.93Å; D113-R115 IonicContact OD2-CZ 3.95Å; D113-R115 IonicContact OD2-NH2 2.67Å; D113-R115 PolarHBondContact OD2-NH2 2.96Å; D113-R115 VanDerWaalsContact OD2-NH2 3.12Å | ||
| 114 | T | 97.9 | Very high | 92.5 | Very high | 36 Ų | 36 | 46 Ų | 46 | 22% | 0.221 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 128.3 | 173.1 | -50.6 | 0 | 0 | 0 | 0 | 109.4 | G51 T52 W73 G112 I143 | G51-T114 VanDerWaalsContact O-CA 3.26Å; G51-T114 WeakPolarHBondContact O-CA 3.26Å; G51-T114 VanDerWaalsContact O-CG2 3.25Å; G51-T114 WeakPolarHBondContact O-CG2 3.47Å; T52-T114 PolarHBondContact OG1-OG1 2.81Å; W73-T114 HydrophobicContact CH2-CG2 4.34Å; W73-T114 HydrophobicContact CZ2-CG2 4.07Å; G112-T114 PolarHBondContact O-N 2.77Å; T114-I143 HydrophobicContact CG2-CG1 3.8Å |
| 115 | R | 98.6 | Very high | 90.4 | Very high | 40 Ų | 40 | 50.6 Ų | 50.6 | 15% | 0.151 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 163.5 | -173.8 | -60.2 | -66.9 | -174.9 | -80.7 | -8.9 | 111.1 | G51 D113 F117 L140 M141 | G51-R115 PolarHBondContact N-O 3.29Å; G51-R115 VanDerWaalsContact N-O 3.16Å; G51-R115 PolarHBondContact O-N 3.36Å; G51-R115 VanDerWaalsContact O-N 3.08Å; D113-R115 IonicContact OD1-CZ 3.4Å; D113-R115 VanDerWaalsContact OD1-CZ 3.31Å; D113-R115 IonicContact OD1-NH1 3.29Å; D113-R115 PolarHBondContact OD1-NH1 3.12Å; D113-R115 IonicContact OD1-NH2 3.64Å; D113-R115 PolarHBondContact OD1-NH2 2.93Å; D113-R115 IonicContact OD2-CZ 3.95Å; D113-R115 IonicContact OD2-NH2 2.67Å; D113-R115 PolarHBondContact OD2-NH2 2.96Å; D113-R115 VanDerWaalsContact OD2-NH2 3.12Å; R115-F117 HydrophobicContact CB-CD2 4.38Å; R115-F117 HydrophobicContact CB-CE1 4.19Å; R115-F117 HydrophobicContact CB-CE2 3.9Å; R115-F117 HydrophobicContact CB-CZ 3.8Å; R115-F117 HydrophobicContact CG-CZ 4.49Å; R115-F117 WeakPolarHBondContact O-CD2 3.44Å; R115-F117 VanDerWaalsContact O-CE2 3.24Å; R115-F117 WeakPolarHBondContact O-CE2 3.34Å; R115-L140 HydrophobicContact CB-CD2 4.45Å; R115-L140 HydrophobicContact CG-CB 4.36Å; R115-M141 CarbonylContact C-O 3.6Å; R115-M141 WeakPolarHBondContact CA-O 3.47Å |
| 116 | I | 98.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 130.5 | 160 | -45.1 | 175.4 | 0 | 0 | 0 | 106.7 | V48 L49 T50 L76 F118 M141 I143 N147 L148 V151 | V48-I116 HydrophobicContact CG1-CG2 3.82Å; L49-I116 WeakPolarHBondContact O-CA 3.17Å; T50-I116 HydrophobicContact CG2-CG1 4.21Å; L76-I116 HydrophobicContact CD1-CG2 4.15Å; I116-F118 HydrophobicContact CG2-CE2 4.22Å; I116-M141 HydrophobicContact CB-CB 4.14Å; I116-M141 HydrophobicContact CD1-CB 4.42Å; I116-M141 HydrophobicContact CD1-CG 4.27Å; I116-M141 HydrophobicContact CD1-SD 4.44Å; I116-M141 PolarHBondContact N-O 2.91Å; I116-M141 PolarHBondContact O-N 3.21Å; I116-I143 HydrophobicContact CD1-CD1 4.41Å; I116-I143 HydrophobicContact CG1-CD1 3.49Å; I116-I143 VanDerWaalsContact CG1-CD1 3.49Å; I116-N147 HydrophobicContact CD1-CB 4.08Å; I116-L148 HydrophobicContact CD1-CD2 3.88Å; I116-L148 HydrophobicContact CD1-CG 4.42Å; I116-L148 HydrophobicContact CG1-CD2 4.29Å; I116-V151 HydrophobicContact CD1-CG2 4.33Å |
| 117 | F | 98.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 129.3 | -175.8 | -58.1 | -94.4 | 0 | 0 | 0 | 109.8 | V48 L49 V53 V70 I96 F99 R115 L119 L140 | V48-F117 WeakPolarHBondContact CA-O 3.3Å; L49-F117 HydrophobicContact CD1-CB 4.25Å; L49-F117 HydrophobicContact CD1-CD2 3.69Å; L49-F117 HydrophobicContact CD1-CE2 4.43Å; L49-F117 HydrophobicContact CD1-CG 4.29Å; L49-F117 HydrophobicContact CG-CB 4.44Å; L49-F117 PolarHBondContact N-O 3.3Å; L49-F117 VanDerWaalsContact N-O 3.13Å; L49-F117 PolarHBondContact O-N 3.44Å; V53-F117 HydrophobicContact CG2-CZ 4.34Å; V70-F117 HydrophobicContact CG1-CE2 3.93Å; V70-F117 HydrophobicContact CG1-CZ 4.11Å; V70-F117 HydrophobicContact CG2-CZ 4.27Å; I96-F117 HydrophobicContact CD1-CB 4.41Å; I96-F117 HydrophobicContact CD1-CD1 4.03Å; I96-F117 HydrophobicContact CD1-CE1 4.42Å; I96-F117 HydrophobicContact CD1-CG 4.09Å; F99-F117 HydrophobicContact CE1-CD1 4.42Å; F99-F117 AromaticContact CE1-CE1 3.98Å; F99-F117 HydrophobicContact CE1-CE1 3.98Å; F99-F117 HydrophobicContact CZ-CD1 4.23Å; F99-F117 AromaticContact CZ-CE1 3.82Å; F99-F117 HydrophobicContact CZ-CE1 3.82Å; R115-F117 HydrophobicContact CB-CD2 4.38Å; R115-F117 HydrophobicContact CB-CE1 4.19Å; R115-F117 HydrophobicContact CB-CE2 3.9Å; R115-F117 HydrophobicContact CB-CZ 3.8Å; R115-F117 HydrophobicContact CG-CZ 4.49Å; R115-F117 WeakPolarHBondContact O-CD2 3.44Å; R115-F117 VanDerWaalsContact O-CE2 3.24Å; R115-F117 WeakPolarHBondContact O-CE2 3.34Å; F117-L119 HydrophobicContact CB-CD1 3.91Å; F117-L119 HydrophobicContact CB-CD2 3.96Å; F117-L119 HydrophobicContact CB-CG 3.86Å; F117-L140 HydrophobicContact CD1-CD2 3.54Å; F117-L140 HydrophobicContact CE1-CD2 3.72Å; F117-L140 HydrophobicContact CG-CD2 4.49Å |
| 118 | F | 97.9 | Very high | 84 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 115.5 | 173.4 | -66 | -96.3 | 0 | 0 | 0 | 108.5 | L38 R41 E42 A45 V48 I116 N137 S138 M141 V151 | L38-F118 HydrophobicContact CD1-CE1 4.16Å; L38-F118 HydrophobicContact CD1-CZ 3.7Å; R41-F118 HydrophobicContact CB-CD1 4.48Å; E42-F118 HydrophobicContact CB-CE1 4.28Å; A45-F118 HydrophobicContact CB-CB 3.93Å; A45-F118 HydrophobicContact CB-CD1 4.07Å; V48-F118 HydrophobicContact CG1-CD1 4.39Å; V48-F118 HydrophobicContact CG1-CE1 4.26Å; V48-F118 HydrophobicContact CG2-CD1 3.84Å; V48-F118 HydrophobicContact CG2-CE1 4.15Å; I116-F118 HydrophobicContact CG2-CE2 4.22Å; F118-N137 PolarHBondContact O-N 3.32Å; F118-S138 VanDerWaalsContact CB-OG 3.27Å; F118-S138 WeakPolarHBondContact CB-OG 3.23Å; F118-S138 WeakPolarHBondContact CG-OG 3.15Å; F118-M141 HydrophobicContact CE2-CB 4.14Å; F118-M141 HydrophobicContact CE2-SD 4.35Å; F118-M141 HydrophobicContact CZ-SD 4.41Å; F118-V151 HydrophobicContact CZ-CG2 3.94Å |
| 119 | L | 95.6 | Very high | 81.8 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 152.6 | -160.3 | -56 | 173.7 | 0 | 0 | 0 | 112.2 | N46 V47 L49 I96 F117 L134 M135 L136 | N46-L119 PolarHBondContact N-O 2.88Å; V47-L119 HydrophobicContact CB-CB 4.13Å; V47-L119 HydrophobicContact CG1-CB 4.34Å; V47-L119 HydrophobicContact CG1-CD1 4.38Å; V47-L119 PolarHBondContact N-O 2.76Å; V47-L119 PolarHBondContact O-N 2.79Å; L49-L119 HydrophobicContact CD2-CD1 3.69Å; L49-L119 HydrophobicContact CG-CD1 3.92Å; I96-L119 HydrophobicContact CD1-CD1 3.69Å; I96-L119 HydrophobicContact CD1-CD2 4.26Å; I96-L119 HydrophobicContact CG1-CD1 4.2Å; I96-L119 HydrophobicContact CG2-CD2 3.61Å; F117-L119 HydrophobicContact CB-CD1 3.91Å; F117-L119 HydrophobicContact CB-CD2 3.96Å; F117-L119 HydrophobicContact CB-CG 3.86Å; L119-L134 HydrophobicContact CB-CB 4.33Å; L119-L134 HydrophobicContact CB-CD2 4.31Å; L119-L134 HydrophobicContact CD1-CB 4.04Å; L119-L134 HydrophobicContact CD1-CD1 3.82Å; L119-L134 HydrophobicContact CD1-CG 4.39Å; L119-M135 VanDerWaalsContact CA-O 3.3Å; L119-M135 WeakPolarHBondContact CA-O 3.47Å; L119-L136 HydrophobicContact CD2-CD1 4.16Å |
| 120 | N | 92.6 | Very high | 79.7 | Confident | 32 Ų | 32 | 61.1 Ų | 61.1 | 17% | 0.171 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 157.7 | 167.5 | -79.1 | -37.2 | 0 | 0 | 0 | 110.6 | E44 N46 L134 M135 N137 | E44-N120 PolarHBondContact O-ND2 3.27Å; E44-N120 PolarHBondContact O-OD1 2.89Å; N46-N120 WeakPolarHBondContact CB-OD1 3.49Å; N46-N120 PolarHBondContact N-OD1 3.4Å; N46-N120 PolarHBondContact ND2-OD1 3.33Å; N120-L134 CarbonylContact O-C 3.53Å; N120-L134 WeakPolarHBondContact O-CA 3.37Å; N120-M135 PolarHBondContact N-O 2.88Å; N120-M135 PolarHBondContact O-N 2.77Å; N120-N137 PolarHBondContact ND2-ND2 2.8Å; N120-N137 VanDerWaalsContact ND2-ND2 3.15Å |
| 121 | L | 86.4 | Confident | 77.6 | Confident | 83 Ų | 83 | 64.7 Ų | 64.7 | 44% | 0.435 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 139.5 | 169.7 | -67.5 | 171.6 | 0 | 0 | 0 | 109.3 | I86 L134 | I86-L121 HydrophobicContact CD1-CD2 4.28Å; L121-L134 HydrophobicContact CD2-CD2 3.94Å |
| 122 | A | 78.1 | Confident | 76 | Confident | 18 Ų | 18 | 63.2 Ų | 63.2 | 15% | 0.149 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -56 | 132.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | E133 M135 | A122-E133 HydrophobicContact CB-CB 4.22Å; A122-E133 WeakPolarHBondContact CB-O 3.23Å; A122-E133 PolarHBondContact N-O 3.08Å; A122-M135 HydrophobicContact CB-CG 3.91Å |
| 123 | P | 67.8 | Low | 75.1 | Confident | 80 Ų | 80 | 62.6 Ų | 62.6 | 52% | 0.519 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -62 | 144 | -179.5 | 18.1 | -24.6 | 0 | 0 | 0 | 111 | S125 V126 | P123-S125 PolarHBondContact O-N 3.4Å; P123-V126 HydrophobicContact CG-CG2 4.19Å; P123-V126 WeakPolarHBondContact O-CG2 3.11Å; P123-V126 PolarHBondContact O-N 3.06Å |
| 124 | E | 58.4 | Low | 74.7 | Confident | 182 Ų | 182 | 60.7 Ų | 60.7 | 85% | 0.85 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -11.6 | -175 | -60.4 | -165.2 | 159.4 | 0 | 0 | 114.8 | V126 | E124-V126 VanDerWaalsContact C-N 3.31Š|
| 125 | S | 53.3 | Low | 74.5 | Confident | 108 Ų | 108 | 61 Ų | 61 | 76% | 0.755 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -14.7 | 176.6 | 57.1 | 0 | 0 | 0 | 0 | 114 | P123 | P123-S125 PolarHBondContact O-N 3.4Š|
| 126 | V | 54.9 | Low | 74.4 | Confident | 58 Ų | 58 | 59.7 Ų | 59.7 | 35% | 0.352 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -80.9 | 117.4 | 169 | -162.8 | 0 | 0 | 0 | 0 | 105.9 | P123 E124 H130 | P123-V126 HydrophobicContact CG-CG2 4.19Å; P123-V126 WeakPolarHBondContact O-CG2 3.11Å; P123-V126 PolarHBondContact O-N 3.06Å; E124-V126 VanDerWaalsContact C-N 3.31Å; V126-H130 HydrophobicContact CB-CB 4.34Å; V126-H130 HydrophobicContact CG1-CB 3.76Å |
| 127 | G | 50.3 | Low | 74.2 | Confident | 47 Ų | 47 | 62 Ų | 62 | 49% | 0.485 | 34% | 0.343 | S | S | . | . | trans | -49.8 | 166.3 | -164.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | D129 H130 | G127-D129 PolarHBondContact O-N 3.29Å; G127-H130 PolarHBondContact O-N 3.15Å | ||
| 128 | L | 48.3 | Very low | 74.2 | Confident | 149 Ų | 149 | 62.4 Ų | 62.4 | 78% | 0.78 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -43.3 | -28.4 | -172.2 | -78.9 | 154.8 | 0 | 0 | 0 | 116 | H130 K131 | L128-H130 VanDerWaalsContact C-N 3.32Å; L128-H130 PolarHBondContact O-N 3.31Å; L128-K131 HydrophobicContact CD2-CD 4.38Å; L128-K131 WeakPolarHBondContact O-CB 3.32Å; L128-K131 PolarHBondContact O-N 3.38Å |
| 129 | D | 50.9 | Low | 74.2 | Confident | 152 Ų | 152 | 62.8 Ų | 62.8 | 81% | 0.813 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -69.8 | -21.4 | 178.8 | -61 | -36.1 | 0 | 0 | 0 | 114.5 | G127 | G127-D129 PolarHBondContact O-N 3.29Š|
| 130 | H | 54.2 | Low | 74.4 | Confident | 65 Ų | 65 | 63.1 Ų | 63.1 | 30% | 0.301 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -109.8 | 9.6 | -179.8 | -53.5 | 77 | 0 | 0 | 0 | 112.2 | V126 G127 L128 N132 E133 | V126-H130 HydrophobicContact CB-CB 4.34Å; V126-H130 HydrophobicContact CG1-CB 3.76Å; G127-H130 PolarHBondContact O-N 3.15Å; L128-H130 VanDerWaalsContact C-N 3.32Å; L128-H130 PolarHBondContact O-N 3.31Å; H130-N132 PolarHBondContact O-N 2.7Å; H130-E133 HydrophobicContact CB-CG 4.45Å; H130-E133 IonicContact CD2-OE1 2.7Å; H130-E133 IonicContact CD2-OE2 3.81Å; H130-E133 PolarHBondContact CD2-OE2 2.76Å; H130-E133 VanDerWaalsContact CD2-OE2 3.29Å; H130-E133 IonicContact CG-OE2 3.6Å; H130-E133 PolarHBondContact O-N 3.25Å |
| 131 | K | 53.8 | Low | 74.6 | Confident | 127 Ų | 127 | 62.8 Ų | 62.8 | 55% | 0.552 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 113.6 | 177.7 | -160.3 | 169.8 | -174.5 | 172 | 0 | 107.2 | L128 | L128-K131 HydrophobicContact CD2-CD 4.38Å; L128-K131 WeakPolarHBondContact O-CB 3.32Å; L128-K131 PolarHBondContact O-N 3.38Å |
| 132 | N | 64.6 | Low | 75.1 | Confident | 63 Ų | 63 | 67.1 Ų | 67.1 | 34% | 0.337 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | 21.3 | 179.5 | -38.9 | -30.2 | 0 | 0 | 0 | 117 | I86 H130 | I86-N132 HydrophobicContact CD1-CB 3.83Å; I86-N132 WeakPolarHBondContact CD1-O 3.27Å; I86-N132 HydrophobicContact CG1-CB 3.51Å; I86-N132 WeakPolarHBondContact CG1-O 3.24Å; H130-N132 PolarHBondContact O-N 2.7Å |
| 133 | E | 78.5 | Confident | 76 | Confident | 34 Ų | 34 | 69.2 Ų | 69.2 | 16% | 0.159 | 37% | 0.366 | C | S | . | . | trans | -84 | 149.3 | 168.6 | -65.5 | -179.6 | 165.3 | 0 | 0 | 112.1 | Y67 T95 A122 H130 | Y67-E133 WeakPolarHBondContact CE1-OE2 3.26Å; T95-E133 HydrophobicContact CG2-CG 4.4Å; A122-E133 HydrophobicContact CB-CB 4.22Å; A122-E133 WeakPolarHBondContact CB-O 3.23Å; A122-E133 PolarHBondContact N-O 3.08Å; H130-E133 HydrophobicContact CB-CG 4.45Å; H130-E133 IonicContact CD2-OE1 2.7Å; H130-E133 IonicContact CD2-OE2 3.81Å; H130-E133 PolarHBondContact CD2-OE2 2.76Å; H130-E133 VanDerWaalsContact CD2-OE2 3.29Å; H130-E133 IonicContact CG-OE2 3.6Å; H130-E133 PolarHBondContact O-N 3.25Å | ||
| 134 | L | 90.3 | Very high | 77.4 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 136.7 | 171.1 | -69.2 | 168.5 | 0 | 0 | 0 | 109.3 | V47 L49 V94 T95 I96 G97 L119 N120 L121 | V47-L134 HydrophobicContact CB-CD2 4.37Å; V47-L134 HydrophobicContact CG1-CD2 4.44Å; V47-L134 HydrophobicContact CG2-CD2 4.2Å; L49-L134 HydrophobicContact CD2-CD1 4.25Å; V94-L134 HydrophobicContact CB-CD1 4.34Å; V94-L134 HydrophobicContact CG2-CD1 4.36Å; T95-L134 PolarHBondContact O-N 2.92Å; I96-L134 CarbonylContact C-O 3.56Å; I96-L134 VanDerWaalsContact CA-O 3.24Å; I96-L134 WeakPolarHBondContact CA-O 3.43Å; I96-L134 HydrophobicContact CG1-CB 4.32Å; G97-L134 PolarHBondContact N-O 2.84Å; L119-L134 HydrophobicContact CB-CB 4.33Å; L119-L134 HydrophobicContact CB-CD2 4.31Å; L119-L134 HydrophobicContact CD1-CB 4.04Å; L119-L134 HydrophobicContact CD1-CD1 3.82Å; L119-L134 HydrophobicContact CD1-CG 4.39Å; N120-L134 CarbonylContact O-C 3.53Å; N120-L134 WeakPolarHBondContact O-CA 3.37Å; L121-L134 HydrophobicContact CD2-CD2 3.94Å |
| 135 | M | 93.1 | Very high | 79.2 | Confident | 44 Ų | 44 | 65.9 Ų | 65.9 | 22% | 0.217 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 136.8 | -179.8 | -63.7 | -58.7 | -68.7 | 0 | 0 | 110.4 | Y67 L119 N120 A122 N137 | Y67-M135 HydrophobicContact CE1-SD 4.13Å; L119-M135 VanDerWaalsContact CA-O 3.3Å; L119-M135 WeakPolarHBondContact CA-O 3.47Å; N120-M135 PolarHBondContact N-O 2.88Å; N120-M135 PolarHBondContact O-N 2.77Å; A122-M135 HydrophobicContact CB-CG 3.91Å; M135-N137 PolarHBondContact O-N 3.49Å |
| 136 | L | 95.9 | Very high | 81.2 | Confident | 12 Ų | 12 | 69 Ų | 69 | 6% | 0.063 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 124.8 | 174.7 | -164.2 | 69.3 | 0 | 0 | 0 | 110.4 | G97 F99 I104 N107 L119 S138 L140 | G97-L136 PolarHBondContact O-N 3.25Å; F99-L136 HydrophobicContact CD1-CD2 4.36Å; I104-L136 HydrophobicContact CD1-CB 4.17Å; I104-L136 HydrophobicContact CD1-CD2 3.84Å; I104-L136 HydrophobicContact CD1-CG 3.84Å; I104-L136 HydrophobicContact CG2-CD2 4.3Å; N107-L136 HydrophobicContact CB-CD2 4.48Å; L119-L136 HydrophobicContact CD2-CD1 4.16Å; L136-S138 WeakPolarHBondContact CG-O 3.46Å; L136-L140 HydrophobicContact CD1-CD2 3.75Å; L136-L140 HydrophobicContact CD2-CD2 4.34Å; L136-L140 HydrophobicContact CD2-CG 4.42Å |
| 137 | N | 96.3 | Very high | 83.2 | Confident | 49 Ų | 49 | 67.7 Ų | 67.7 | 26% | 0.262 | 34% | 0.338 | S | S | . | . | trans | -99.3 | -44.9 | -178.7 | 175.2 | -100 | 0 | 0 | 0 | 112.3 | F118 N120 M135 | F118-N137 PolarHBondContact O-N 3.32Å; N120-N137 PolarHBondContact ND2-ND2 2.8Å; N120-N137 VanDerWaalsContact ND2-ND2 3.15Å; M135-N137 PolarHBondContact O-N 3.49Å | ||
| 138 | S | 97.6 | Very high | 85.4 | Confident | 8 Ų | 8 | 67.3 Ų | 67.3 | 6% | 0.056 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -137.2 | -178.9 | 179.8 | 72.6 | 0 | 0 | 0 | 0 | 111.9 | R41 F118 L136 | R41-S138 PolarHBondContact NE-OG 2.89Å; F118-S138 VanDerWaalsContact CB-OG 3.27Å; F118-S138 WeakPolarHBondContact CB-OG 3.23Å; F118-S138 WeakPolarHBondContact CG-OG 3.15Å; L136-S138 WeakPolarHBondContact CG-O 3.46Å |
| 139 | S | 98.1 | Very high | 87.7 | Confident | 7 Ų | 7 | 66.1 Ų | 66.1 | 5% | 0.049 | 32% | 0.315 | C | S | . | . | trans | -58 | 146.3 | -174.7 | -79.3 | 0 | 0 | 0 | 0 | 113.4 | E35 R41 I104 C105 D106 | E35-S139 VanDerWaalsContact CD-CB 3.46Å; E35-S139 WeakPolarHBondContact OE1-CB 3.4Å; E35-S139 PolarHBondContact OE1-N 2.87Å; E35-S139 PolarHBondContact OE1-OG 3.04Å; E35-S139 VanDerWaalsContact OE2-CB 3.26Å; E35-S139 WeakPolarHBondContact OE2-CB 3.26Å; E35-S139 PolarHBondContact OE2-OG 3.16Å; R41-S139 PolarHBondContact NH2-O 2.91Å; I104-S139 VanDerWaalsContact CG2-CA 3.45Å; C105-S139 WeakPolarHBondContact CB-OG 3.41Å; C105-S139 PolarHBondContact N-OG 3.39Å; C105-S139 VanDerWaalsContact N-OG 3.13Å; D106-S139 PolarHBondContact N-OG 3.47Å; D106-S139 WeakPolarHBondContact O-CA 3.46Å | ||
| 140 | L | 98.3 | Very high | 89.8 | Confident | 8 Ų | 8 | 63 Ų | 63 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | trans | -63.1 | 141.4 | 171.3 | -59.9 | 166.9 | 0 | 0 | 0 | 109.4 | F99 D106 Q108 V109 R115 F117 L136 | F99-L140 HydrophobicContact CE1-CD1 4.35Å; F99-L140 HydrophobicContact CE1-CD2 4.04Å; D106-L140 HydrophobicContact CB-CB 4.48Å; D106-L140 WeakPolarHBondContact O-CG 3.23Å; D106-L140 PolarHBondContact O-N 2.72Å; Q108-L140 WeakPolarHBondContact O-CD1 3.33Å; V109-L140 HydrophobicContact CG1-CD1 3.43Å; V109-L140 VanDerWaalsContact CG1-CD1 3.43Å; R115-L140 HydrophobicContact CB-CD2 4.45Å; R115-L140 HydrophobicContact CG-CB 4.36Å; F117-L140 HydrophobicContact CD1-CD2 3.54Å; F117-L140 HydrophobicContact CE1-CD2 3.72Å; F117-L140 HydrophobicContact CG-CD2 4.49Å; L136-L140 HydrophobicContact CD1-CD2 3.75Å; L136-L140 HydrophobicContact CD2-CD2 4.34Å; L136-L140 HydrophobicContact CD2-CG 4.42Å | ||
| 141 | M | 97.9 | Very high | 91.8 | Very high | 25 Ų | 25 | 59.9 Ų | 59.9 | 12% | 0.123 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 140.4 | 176.6 | -169.5 | 169.8 | -173.9 | 0 | 0 | 109.9 | L38 R115 I116 F118 N147 V151 | L38-M141 HydrophobicContact CD1-CE 4.43Å; L38-M141 HydrophobicContact CD1-SD 4.03Å; L38-M141 HydrophobicContact CD2-CE 4.42Å; R115-M141 CarbonylContact C-O 3.6Å; R115-M141 WeakPolarHBondContact CA-O 3.47Å; I116-M141 HydrophobicContact CB-CB 4.14Å; I116-M141 HydrophobicContact CD1-CB 4.42Å; I116-M141 HydrophobicContact CD1-CG 4.27Å; I116-M141 HydrophobicContact CD1-SD 4.44Å; I116-M141 PolarHBondContact N-O 2.91Å; I116-M141 PolarHBondContact O-N 3.21Å; F118-M141 HydrophobicContact CE2-CB 4.14Å; F118-M141 HydrophobicContact CE2-SD 4.35Å; F118-M141 HydrophobicContact CZ-SD 4.41Å; M141-N147 HydrophobicContact CE-CB 3.51Å; M141-N147 HydrophobicContact CG-CB 4.2Å; M141-N147 HydrophobicContact SD-CB 4.28Å; M141-V151 HydrophobicContact CE-CG2 4.49Å; M141-V151 HydrophobicContact SD-CG2 3.98Å |
| 142 | R | 96.9 | Very high | 93.7 | Very high | 174 Ų | 174 | 56.1 Ų | 56.1 | 66% | 0.657 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 149.3 | 179.6 | -66.9 | -175 | 178.7 | -157.1 | -0.6 | 110.4 | T144 N147 | R142-T144 PolarHBondContact O-N 2.87Å; R142-N147 PolarHBondContact O-ND2 3.38Å |
| 143 | I | 96.2 | Very high | 95.1 | Very high | 61 Ų | 61 | 59.7 Ų | 59.7 | 31% | 0.313 | 28% | 0.279 | S | S | . | . | trans | -77.4 | 110.1 | 170.5 | -59.9 | -70.1 | 0 | 0 | 0 | 109 | T50 T114 I116 L148 | T50-I143 HydrophobicContact CG2-CD1 3.71Å; T114-I143 HydrophobicContact CG2-CG1 3.8Å; I116-I143 HydrophobicContact CD1-CD1 4.41Å; I116-I143 HydrophobicContact CG1-CD1 3.49Å; I116-I143 VanDerWaalsContact CG1-CD1 3.49Å; I143-L148 HydrophobicContact CD1-CD2 4.37Å; I143-L148 HydrophobicContact CG2-CD1 4.34Å | ||
| 144 | T | 97.1 | Very high | 95.9 | Very high | 59 Ų | 59 | 59 Ų | 59 | 36% | 0.362 | 28% | 0.278 | S | S | . | . | trans | -141.4 | 158 | 167.7 | 69.8 | 0 | 0 | 0 | 0 | 107.7 | R142 R146 N147 L148 | R142-T144 PolarHBondContact O-N 2.87Å; T144-R146 VanDerWaalsContact C-N 3.32Å; T144-R146 PolarHBondContact O-N 3.13Å; T144-N147 PolarHBondContact O-N 2.49Å; T144-N147 VanDerWaalsContact OG1-CB 3.28Å; T144-N147 WeakPolarHBondContact OG1-CB 3.21Å; T144-N147 PolarHBondContact OG1-N 3.07Å; T144-N147 VanDerWaalsContact OG1-N 3.07Å; T144-N147 PolarHBondContact OG1-ND2 3.42Å; T144-N147 PolarHBondContact OG1-OD1 3.34Å; T144-L148 WeakPolarHBondContact O-CG 3.35Å; T144-L148 PolarHBondContact O-N 2.56Å | ||
| 145 | L | 95.9 | Very high | 95.9 | Very high | 134 Ų | 134 | 60.1 Ų | 60.1 | 70% | 0.702 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -58 | -46.9 | 176.9 | -69.4 | 175.3 | 0 | 0 | 0 | 111.4 | N147 L148 E149 | L145-N147 VanDerWaalsContact C-N 3.35Å; L145-N147 PolarHBondContact O-N 3.5Å; L145-L148 PolarHBondContact O-N 2.78Å; L145-L148 VanDerWaalsContact O-N 3.17Å; L145-E149 WeakPolarHBondContact O-CG 2.93Å; L145-E149 PolarHBondContact O-N 3.42Å |
| 146 | R | 96.8 | Very high | 95.6 | Very high | 174 Ų | 174 | 64.3 Ų | 64.3 | 66% | 0.657 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -54.3 | -49.4 | 176.5 | 179.6 | -178.9 | -63.8 | 178.6 | -1.9 | 112.3 | T144 L148 E149 E150 | T144-R146 VanDerWaalsContact C-N 3.32Å; T144-R146 PolarHBondContact O-N 3.13Å; R146-L148 VanDerWaalsContact C-N 3.29Å; R146-L148 PolarHBondContact O-N 2.87Å; R146-E149 PolarHBondContact O-N 3.04Å; R146-E150 WeakPolarHBondContact CD-OE1 2.96Å; R146-E150 HydrophobicContact CG-CG 4.34Å; R146-E150 WeakPolarHBondContact CG-OE1 3.12Å; R146-E150 WeakPolarHBondContact O-CB 3.33Å; R146-E150 VanDerWaalsContact O-CG 3.3Å; R146-E150 WeakPolarHBondContact O-CG 3.19Å; R146-E150 PolarHBondContact O-N 3.13Å |
| 147 | N | 96.3 | Very high | 94.7 | Very high | 30 Ų | 30 | 66.9 Ų | 66.9 | 16% | 0.16 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.6 | -35.7 | -177.6 | -70.9 | 4.2 | 0 | 0 | 0 | 111.9 | I116 M141 R142 T144 L145 V151 | I116-N147 HydrophobicContact CD1-CB 4.08Å; M141-N147 HydrophobicContact CE-CB 3.51Å; M141-N147 HydrophobicContact CG-CB 4.2Å; M141-N147 HydrophobicContact SD-CB 4.28Å; R142-N147 PolarHBondContact O-ND2 3.38Å; T144-N147 PolarHBondContact O-N 2.49Å; T144-N147 VanDerWaalsContact OG1-CB 3.28Å; T144-N147 WeakPolarHBondContact OG1-CB 3.21Å; T144-N147 PolarHBondContact OG1-N 3.07Å; T144-N147 VanDerWaalsContact OG1-N 3.07Å; T144-N147 PolarHBondContact OG1-ND2 3.42Å; T144-N147 PolarHBondContact OG1-OD1 3.34Å; L145-N147 VanDerWaalsContact C-N 3.35Å; L145-N147 PolarHBondContact O-N 3.5Å; N147-V151 WeakPolarHBondContact O-CB 3.35Å; N147-V151 WeakPolarHBondContact O-CG2 3.47Å; N147-V151 PolarHBondContact O-N 3.5Å; N147-V151 VanDerWaalsContact O-N 3.1Å |
| 148 | L | 96.6 | Very high | 93.1 | Very high | 38 Ų | 38 | 69 Ų | 69 | 20% | 0.199 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.2 | -46.5 | 176.9 | -70.3 | 168.7 | 0 | 0 | 0 | 111 | T50 L76 I116 I143 T144 L145 R146 E150 V151 E152 | T50-L148 HydrophobicContact CG2-CD2 3.76Å; L76-L148 HydrophobicContact CD1-CD2 4.22Å; I116-L148 HydrophobicContact CD1-CD2 3.88Å; I116-L148 HydrophobicContact CD1-CG 4.42Å; I116-L148 HydrophobicContact CG1-CD2 4.29Å; I143-L148 HydrophobicContact CD1-CD2 4.37Å; I143-L148 HydrophobicContact CG2-CD1 4.34Å; T144-L148 WeakPolarHBondContact O-CG 3.35Å; T144-L148 PolarHBondContact O-N 2.56Å; L145-L148 PolarHBondContact O-N 2.78Å; L145-L148 VanDerWaalsContact O-N 3.17Å; R146-L148 VanDerWaalsContact C-N 3.29Å; R146-L148 PolarHBondContact O-N 2.87Å; L148-E150 PolarHBondContact O-N 2.78Å; L148-V151 PolarHBondContact O-N 2.91Å; L148-E152 WeakPolarHBondContact O-CB 3.43Å; L148-E152 WeakPolarHBondContact O-CG 3.27Å; L148-E152 PolarHBondContact O-N 2Å |
| 149 | E | 95.5 | Very high | 91.1 | Very high | 125 Ų | 125 | 76.1 Ų | 76.1 | 58% | 0.584 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.4 | -44.4 | 177.1 | -71.5 | 168.9 | -177.5 | 0 | 0 | 111.6 | L145 R146 E152 H153 | L145-E149 WeakPolarHBondContact O-CG 2.93Å; L145-E149 PolarHBondContact O-N 3.42Å; R146-E149 PolarHBondContact O-N 3.04Å; E149-E152 PolarHBondContact O-N 2.94Å; E149-H153 VanDerWaalsContact O-CB 3.28Å; E149-H153 WeakPolarHBondContact O-CB 3.4Å; E149-H153 PolarHBondContact O-N 3.16Å |
| 150 | E | 95.9 | Very high | 88.8 | Confident | 86 Ų | 86 | 85.3 Ų | 85.3 | 40% | 0.402 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 177.4 | -74.2 | 171.3 | -175 | 0 | 0 | 111.6 | L38 R146 L148 H153 C154 | L38-E150 HydrophobicContact CD2-CB 3.77Å; R146-E150 WeakPolarHBondContact CD-OE1 2.96Å; R146-E150 HydrophobicContact CG-CG 4.34Å; R146-E150 WeakPolarHBondContact CG-OE1 3.12Å; R146-E150 WeakPolarHBondContact O-CB 3.33Å; R146-E150 VanDerWaalsContact O-CG 3.3Å; R146-E150 WeakPolarHBondContact O-CG 3.19Å; R146-E150 PolarHBondContact O-N 3.13Å; L148-E150 PolarHBondContact O-N 2.78Å; E150-H153 PolarHBondContact O-N 2.99Å; E150-C154 PolarHBondContact O-N 2.73Å; E150-C154 PolarHBondContact O-SG 3.35Å; E150-C154 VanDerWaalsContact O-SG 3.33Å |
| 151 | V | 96.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 89.2 Ų | 89.2 | 0% | 0 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -67 | -46 | 178.1 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | L38 V48 L76 I116 F118 M141 N147 L148 H153 C154 V155 | L38-V151 HydrophobicContact CD1-CG2 4.02Å; L38-V151 HydrophobicContact CD2-CG2 4.09Å; V48-V151 HydrophobicContact CG1-CG1 3.94Å; L76-V151 HydrophobicContact CD1-CB 4.34Å; L76-V151 HydrophobicContact CD1-CG1 3.65Å; I116-V151 HydrophobicContact CD1-CG2 4.33Å; F118-V151 HydrophobicContact CZ-CG2 3.94Å; M141-V151 HydrophobicContact CE-CG2 4.49Å; M141-V151 HydrophobicContact SD-CG2 3.98Å; N147-V151 WeakPolarHBondContact O-CB 3.35Å; N147-V151 WeakPolarHBondContact O-CG2 3.47Å; N147-V151 PolarHBondContact O-N 3.5Å; N147-V151 VanDerWaalsContact O-N 3.1Å; L148-V151 PolarHBondContact O-N 2.91Å; V151-H153 VanDerWaalsContact C-N 3.29Å; V151-H153 PolarHBondContact O-N 3Å; V151-C154 PolarHBondContact O-N 3.25Å; V151-V155 HydrophobicContact CG1-CG2 4.38Å; V151-V155 VanDerWaalsContact O-CG2 3.25Å; V151-V155 WeakPolarHBondContact O-CG2 3.4Å; V151-V155 PolarHBondContact O-N 2.96Å |
| 152 | E | 94.3 | Very high | 87.9 | Confident | 48 Ų | 48 | 92.5 Ų | 92.5 | 22% | 0.224 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -59.5 | -41.9 | 177.5 | -74.8 | -179.9 | 158.6 | 0 | 0 | 110.8 | R74 L76 L148 E149 V155 E156 | R74-E152 IonicContact CZ-OE1 3.2Å; R74-E152 IonicContact NH1-OE1 2.7Å; R74-E152 PolarHBondContact NH1-OE1 2.69Å; R74-E152 IonicContact NH2-OE1 3.2Å; R74-E152 PolarHBondContact NH2-OE1 3.42Å; L76-E152 HydrophobicContact CD2-CG 4.12Å; L148-E152 WeakPolarHBondContact O-CB 3.43Å; L148-E152 WeakPolarHBondContact O-CG 3.27Å; L148-E152 PolarHBondContact O-N 2Å; E149-E152 PolarHBondContact O-N 2.94Å; E152-V155 PolarHBondContact O-N 3.26Å; E152-E156 WeakPolarHBondContact O-CB 3.21Å; E152-E156 WeakPolarHBondContact O-CG 3.4Å; E152-E156 PolarHBondContact O-N 3.02Å |
| 153 | H | 94.2 | Very high | 87.4 | Confident | 138 Ų | 138 | 88 Ų | 88 | 64% | 0.639 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.3 | -40.5 | 176.8 | -176.4 | -78.4 | 0 | 0 | 0 | 113.1 | E149 E150 V151 G157 | E149-H153 VanDerWaalsContact O-CB 3.28Å; E149-H153 WeakPolarHBondContact O-CB 3.4Å; E149-H153 PolarHBondContact O-N 3.16Å; E150-H153 PolarHBondContact O-N 2.99Å; V151-H153 VanDerWaalsContact C-N 3.29Å; V151-H153 PolarHBondContact O-N 3Å; H153-G157 PolarHBondContact O-N 2.84Å |
| 154 | C | 94.1 | Very high | 86.9 | Confident | 19 Ų | 19 | 89.6 Ų | 89.6 | 13% | 0.128 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 173.9 | -70 | 0 | 0 | 0 | 0 | 111.3 | E42 E150 V151 G157 E158 | E42-C154 HydrophobicContact CB-CB 4.3Å; E42-C154 HydrophobicContact CG-CB 3.93Å; E150-C154 PolarHBondContact O-N 2.73Å; E150-C154 PolarHBondContact O-SG 3.35Å; E150-C154 VanDerWaalsContact O-SG 3.33Å; V151-C154 PolarHBondContact O-N 3.25Å; C154-G157 PolarHBondContact O-N 2.88Å; C154-E158 PolarHBondContact O-N 3.11Å |
| 155 | V | 90.4 | Very high | 86.2 | Confident | 23 Ų | 23 | 91.5 Ų | 91.5 | 14% | 0.139 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 179.5 | 176 | 0 | 0 | 0 | 0 | 111.8 | E42 K77 V151 E152 E158 | E42-V155 HydrophobicContact CG-CG2 3.8Å; E42-V155 WeakPolarHBondContact OE1-CA 3.26Å; E42-V155 VanDerWaalsContact OE1-CG2 3.31Å; E42-V155 WeakPolarHBondContact OE1-CG2 3.43Å; K77-V155 HydrophobicContact CB-CG1 4.11Å; K77-V155 HydrophobicContact CB-CG2 4.11Å; K77-V155 HydrophobicContact CD-CG2 4.37Å; K77-V155 HydrophobicContact CG-CG1 4.45Å; V151-V155 HydrophobicContact CG1-CG2 4.38Å; V151-V155 VanDerWaalsContact O-CG2 3.25Å; V151-V155 WeakPolarHBondContact O-CG2 3.4Å; V151-V155 PolarHBondContact O-N 2.96Å; E152-V155 PolarHBondContact O-N 3.26Å; V155-E158 PolarHBondContact O-N 2.76Å |
| 156 | E | 87.5 | Confident | 85.6 | Confident | 133 Ų | 133 | 88.7 Ų | 88.7 | 62% | 0.621 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -69.9 | -35.5 | 179.9 | -72.5 | 176.5 | -176.7 | 0 | 0 | 112.4 | E152 E158 E159 | E152-E156 WeakPolarHBondContact O-CB 3.21Å; E152-E156 WeakPolarHBondContact O-CG 3.4Å; E152-E156 PolarHBondContact O-N 3.02Å; E156-E158 PolarHBondContact O-N 2.68Å; E156-E159 PolarHBondContact O-N 3.02Å |
| 157 | G | 76.6 | Confident | 84.8 | Confident | 66 Ų | 66 | 82.6 Ų | 82.6 | 68% | 0.68 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -69.1 | -13.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | H153 C154 | H153-G157 PolarHBondContact O-N 2.84Å; C154-G157 PolarHBondContact O-N 2.88Å |
| 158 | E | 63 | Low | 83.9 | Confident | 92 Ų | 92 | 86.6 Ų | 86.6 | 43% | 0.43 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -9.8 | 176.1 | -153.8 | -176.5 | -179.7 | 0 | 0 | 112.8 | K77 C154 V155 E156 P160 | K77-E158 IonicContact NZ-OE2 3.32Å; K77-E158 PolarHBondContact NZ-OE2 2.8Å; C154-E158 PolarHBondContact O-N 3.11Å; V155-E158 PolarHBondContact O-N 2.76Å; E156-E158 PolarHBondContact O-N 2.68Å; E158-P160 WeakPolarHBondContact O-CD 3.3Å |
| 159 | E | 54.5 | Low | 82.8 | Confident | 159 Ų | 159 | 90.7 Ų | 90.7 | 74% | 0.743 | 49% | 0.49 | S | S | * | . | trans | -72.5 | 114.3 | 175.7 | -64.8 | -164.1 | 162.2 | 0 | 0 | 110.8 | E156 | E156-E159 PolarHBondContact O-N 3.02Š| ||
| 160 | P | 51.5 | Low | 81.7 | Confident | 199 Ų | 199 | 87.5 Ų | 87.5 | 100% | 1.292 | 48% | 0.482 | S | S | * | . | trans | -78.7 | 0 | 177 | 32.5 | -34.3 | 0 | 0 | 0 | 114.1 | E158 | E158-P160 WeakPolarHBondContact O-CD 3.3Š|
Retrieved 160 of 160 residues in 277.2 ms
(Link to these results)